6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one

C26H29N7O2 — CID 146407997

IUPAC6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one
SMILESO=c1c2cc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)ccc2ncn1CCN1CCOCC1
InChIInChI=1S/C26H29N7O2/c34-26-20-16-18(3-6-21(20)27-17-31(26)11-10-30-12-14-35-15-13-30)25-24(28-23-2-1-8-32(23)25)22-7-9-33(29-22)19-4-5-19/h3,6-7,9,16-17,19H,1-2,4-5,8,10-15H2
InChIKeyUBNFFQKHKNPSLP-UHFFFAOYSA-N
MW471.57 g/mol
LogP2.74
Rot. Bonds6

About 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one

6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one (PubChem CID 146407997) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one
PubChem CID146407997
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC Name6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one
SMILESO=c1c2cc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)ccc2ncn1CCN1CCOCC1
InChIInChI=1S/C26H29N7O2/c34-26-20-16-18(3-6-21(20)27-17-31(26)11-10-30-12-14-35-15-13-30)25-24(28-23-2-1-8-32(23)25)22-7-9-33(29-22)19-4-5-19/h3,6-7,9,16-17,19H,1-2,4-5,8,10-15H2
InChIKeyUBNFFQKHKNPSLP-UHFFFAOYSA-N
XLogP2.74
TPSA83.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one with MolForge

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Related Compounds

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CID 122180342
CID 122180342
CID 137644509
CID 137644509
CID 52916928
CID 52916928
CID 52917749
CID 52917749
CID 67116208
CID 67116208
CID 67116225
CID 67116225
CID 67116234
CID 67116234
CID 67116484
CID 67116484
CID 67116556
CID 67116556
CID 67116623
CID 67116623

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one?
The IUPAC name of 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one (CID 146407997) is 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one.
What is the SMILES notation for 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one?
The canonical SMILES for 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one is O=c1c2cc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)ccc2ncn1CCN1CCOCC1.
What is the InChIKey of 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one?
The InChIKey is UBNFFQKHKNPSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c34-26-20-16-18(3-6-21(20)27-17-31(26)11-10-30-12-14-35-15-13-30)25-24(28-23-2-1-8-32(23)25)22-7-9-33(29-22)19-4-5-19/h3,6-7,9,16-17,19H,1-2,4-5,8,10-15H2.
What are the key properties of 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one?
6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one has a molecular weight of 471.57 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one is sourced from PubChem (CID 146407997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).