1-(2,3-dihydroxypropyl)-3-[3-[4-(6-methyl-2,3-diazabicyclo[3.1.0]hexa-1(6),3-dien-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one

C26H29N7O3 — CID 123201228

IUPAC1-(2,3-dihydroxypropyl)-3-[3-[4-(6-methyl-2,3-diazabicyclo[3.1.0]hexa-1(6),3-dien-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one
SMILESCC1=C2NN=C(c3ccc(-c4cnn5ccc(N6C(=O)N(CC(O)CO)CC6C(C)C)nc45)cc3)C12
InChIInChI=1S/C26H29N7O3/c1-14(2)20-12-31(11-18(35)13-34)26(36)33(20)21-8-9-32-25(28-21)19(10-27-32)16-4-6-17(7-5-16)24-22-15(3)23(22)29-30-24/h4-10,14,18,20,22,29,34-35H,11-13H2,1-3H3
InChIKeyPLWPDMBSDCFHPP-UHFFFAOYSA-N
MW487.56 g/mol
LogP2.23
Rot. Bonds7

About 1-(2,3-dihydroxypropyl)-3-[3-[4-(6-methyl-2,3-diazabicyclo[3.1.0]hexa-1(6),3-dien-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one

1-(2,3-dihydroxypropyl)-3-[3-[4-(6-methyl-2,3-diazabicyclo[3.1.0]hexa-1(6),3-dien-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one (PubChem CID 123201228) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-3-[3-[4-(6-methyl-2,3-diazabicyclo[3.1.0]hexa-1(6),3-dien-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)-3-[3-[4-(6-methyl-2,3-diazabicyclo[3.1.0]hexa-1(6),3-dien-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one
PubChem CID123201228
Molecular FormulaC26H29N7O3
Molecular Weight487.56 g/mol
Exact Mass487.23
IUPAC Name1-(2,3-dihydroxypropyl)-3-[3-[4-(6-methyl-2,3-diazabicyclo[3.1.0]hexa-1(6),3-dien-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one
SMILESCC1=C2NN=C(c3ccc(-c4cnn5ccc(N6C(=O)N(CC(O)CO)CC6C(C)C)nc45)cc3)C12
InChIInChI=1S/C26H29N7O3/c1-14(2)20-12-31(11-18(35)13-34)26(36)33(20)21-8-9-32-25(28-21)19(10-27-32)16-4-6-17(7-5-16)24-22-15(3)23(22)29-30-24/h4-10,14,18,20,22,29,34-35H,11-13H2,1-3H3
InChIKeyPLWPDMBSDCFHPP-UHFFFAOYSA-N
XLogP2.23
TPSA118.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-(2,3-dihydroxypropyl)-3-[3-[4-(6-methyl-2,3-diazabicyclo[3.1.0]hexa-1(6),3-dien-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)-3-[3-[4-(6-methyl-2,3-diazabicyclo[3.1.0]hexa-1(6),3-dien-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-(2,3-dihydroxypropyl)-3-[3-[4-(6-methyl-2,3-diazabicyclo[3.1.0]hexa-1(6),3-dien-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one (CID 123201228) is 1-(2,3-dihydroxypropyl)-3-[3-[4-(6-methyl-2,3-diazabicyclo[3.1.0]hexa-1(6),3-dien-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)-3-[3-[4-(6-methyl-2,3-diazabicyclo[3.1.0]hexa-1(6),3-dien-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-(2,3-dihydroxypropyl)-3-[3-[4-(6-methyl-2,3-diazabicyclo[3.1.0]hexa-1(6),3-dien-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one is CC1=C2NN=C(c3ccc(-c4cnn5ccc(N6C(=O)N(CC(O)CO)CC6C(C)C)nc45)cc3)C12.
What is the InChIKey of 1-(2,3-dihydroxypropyl)-3-[3-[4-(6-methyl-2,3-diazabicyclo[3.1.0]hexa-1(6),3-dien-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one?
The InChIKey is PLWPDMBSDCFHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3/c1-14(2)20-12-31(11-18(35)13-34)26(36)33(20)21-8-9-32-25(28-21)19(10-27-32)16-4-6-17(7-5-16)24-22-15(3)23(22)29-30-24/h4-10,14,18,20,22,29,34-35H,11-13H2,1-3H3.
What are the key properties of 1-(2,3-dihydroxypropyl)-3-[3-[4-(6-methyl-2,3-diazabicyclo[3.1.0]hexa-1(6),3-dien-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one?
1-(2,3-dihydroxypropyl)-3-[3-[4-(6-methyl-2,3-diazabicyclo[3.1.0]hexa-1(6),3-dien-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one has a molecular weight of 487.56 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)-3-[3-[4-(6-methyl-2,3-diazabicyclo[3.1.0]hexa-1(6),3-dien-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 123201228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).