bis(6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide);6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one

C88H88N28O5 — CID 163820592

IUPACbis(6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide);6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccn(C5CCC5)n4)nc4n3CCC4)cn12.NC(=O)c1cnc2ccc(-c3c(-c4ccn(C5CCC5)n4)nc4n3CCC4)cn12.NC(=O)c1cnc2ccc(-c3c(-c4ccn(C5CCC5)n4)nc4occn34)cn12.O=c1c2cc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)ccc2ncn1CCN1CCCC1
InChIInChI=1S/C26H29N7O.2C21H21N7O.C20H17N7O2/c34-26-20-16-18(5-8-21(20)27-17-31(26)15-14-30-10-1-2-11-30)25-24(28-23-4-3-12-32(23)25)22-9-13-33(29-22)19-6-7-19;2*22-21(29)16-11-23-17-7-6-13(12-27(16)17)20-19(24-18-5-2-9-26(18)20)15-8-10-28(25-15)14-3-1-4-14;21-19(28)15-10-22-16-5-4-12(11-26(15)16)18-17(23-20-25(18)8-9-29-20)14-6-7-27(24-14)13-2-1-3-13/h5,8-9,13,16-17,19H,1-4,6-7,10-12,14-15H2;2*6-8,10-12,14H,1-5,9H2,(H2,22,29);4-11,13H,1-3H2,(H2,21,28)
InChIKeyNVBBRJVLOUWMAY-UHFFFAOYSA-N
MW1617.86 g/mol
LogP12.09
Rot. Bonds18

About bis(6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide);6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one

bis(6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide);6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one (PubChem CID 163820592) has the molecular formula C88H88N28O5 and a molecular weight of 1617.86 g/mol. Its IUPAC name is bis(6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide);6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one.

Molecular Properties

Compound Namebis(6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide);6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one
PubChem CID163820592
Molecular FormulaC88H88N28O5
Molecular Weight1617.86 g/mol
Exact Mass1616.75
IUPAC Namebis(6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide);6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccn(C5CCC5)n4)nc4n3CCC4)cn12.NC(=O)c1cnc2ccc(-c3c(-c4ccn(C5CCC5)n4)nc4n3CCC4)cn12.NC(=O)c1cnc2ccc(-c3c(-c4ccn(C5CCC5)n4)nc4occn34)cn12.O=c1c2cc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)ccc2ncn1CCN1CCCC1
InChIInChI=1S/C26H29N7O.2C21H21N7O.C20H17N7O2/c34-26-20-16-18(5-8-21(20)27-17-31(26)15-14-30-10-1-2-11-30)25-24(28-23-4-3-12-32(23)25)22-9-13-33(29-22)19-6-7-19;2*22-21(29)16-11-23-17-7-6-13(12-27(16)17)20-19(24-18-5-2-9-26(18)20)15-8-10-28(25-15)14-3-1-4-14;21-19(28)15-10-22-16-5-4-12(11-26(15)16)18-17(23-20-25(18)8-9-29-20)14-6-7-27(24-14)13-2-1-3-13/h5,8-9,13,16-17,19H,1-4,6-7,10-12,14-15H2;2*6-8,10-12,14H,1-5,9H2,(H2,22,29);4-11,13H,1-3H2,(H2,21,28)
InChIKeyNVBBRJVLOUWMAY-UHFFFAOYSA-N
XLogP12.09
TPSA374.48 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds18
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001617.86
LogP ≤ 512.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Analyze bis(6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide);6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide);6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?
The IUPAC name of bis(6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide);6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one (CID 163820592) is bis(6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide);6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one.
What is the SMILES notation for bis(6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide);6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?
The canonical SMILES for bis(6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide);6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one is NC(=O)c1cnc2ccc(-c3c(-c4ccn(C5CCC5)n4)nc4n3CCC4)cn12.NC(=O)c1cnc2ccc(-c3c(-c4ccn(C5CCC5)n4)nc4n3CCC4)cn12.NC(=O)c1cnc2ccc(-c3c(-c4ccn(C5CCC5)n4)nc4occn34)cn12.O=c1c2cc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)ccc2ncn1CCN1CCCC1.
What is the InChIKey of bis(6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide);6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?
The InChIKey is NVBBRJVLOUWMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O.2C21H21N7O.C20H17N7O2/c34-26-20-16-18(5-8-21(20)27-17-31(26)15-14-30-10-1-2-11-30)25-24(28-23-4-3-12-32(23)25)22-9-13-33(29-22)19-6-7-19;2*22-21(29)16-11-23-17-7-6-13(12-27(16)17)20-19(24-18-5-2-9-26(18)20)15-8-10-28(25-15)14-3-1-4-14;21-19(28)15-10-22-16-5-4-12(11-26(15)16)18-17(23-20-25(18)8-9-29-20)14-6-7-27(24-14)13-2-1-3-13/h5,8-9,13,16-17,19H,1-4,6-7,10-12,14-15H2;2*6-8,10-12,14H,1-5,9H2,(H2,22,29);4-11,13H,1-3H2,(H2,21,28).
What are the key properties of bis(6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide);6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?
bis(6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide);6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one has a molecular weight of 1617.86 g/mol, XLogP of 12.09, 18 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide);6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one is sourced from PubChem (CID 163820592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).