N-cyclopropyl-3-[1-[6-[hydroxy(oxan-4-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide

C27H29N5O3 — CID 134328509

IUPACN-cyclopropyl-3-[1-[6-[hydroxy(oxan-4-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(O)C4CCOCC4)cn23)c1
InChIInChI=1S/C27H29N5O3/c1-17-2-3-19(27(34)30-22-5-6-22)12-23(17)21-13-29-32(16-21)25-14-28-24-7-4-20(15-31(24)25)26(33)18-8-10-35-11-9-18/h2-4,7,12-16,18,22,26,33H,5-6,8-11H2,1H3,(H,30,34)
InChIKeyJQFNRAMUBPTNNN-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.85
Rot. Bonds6

About N-cyclopropyl-3-[1-[6-[hydroxy(oxan-4-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide

N-cyclopropyl-3-[1-[6-[hydroxy(oxan-4-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide (PubChem CID 134328509) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[6-[hydroxy(oxan-4-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[6-[hydroxy(oxan-4-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
PubChem CID134328509
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC NameN-cyclopropyl-3-[1-[6-[hydroxy(oxan-4-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(O)C4CCOCC4)cn23)c1
InChIInChI=1S/C27H29N5O3/c1-17-2-3-19(27(34)30-22-5-6-22)12-23(17)21-13-29-32(16-21)25-14-28-24-7-4-20(15-31(24)25)26(33)18-8-10-35-11-9-18/h2-4,7,12-16,18,22,26,33H,5-6,8-11H2,1H3,(H,30,34)
InChIKeyJQFNRAMUBPTNNN-UHFFFAOYSA-N
XLogP3.85
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[6-[hydroxy(oxan-4-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-[6-[hydroxy(oxan-4-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide (CID 134328509) is N-cyclopropyl-3-[1-[6-[hydroxy(oxan-4-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[6-[hydroxy(oxan-4-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-[6-[hydroxy(oxan-4-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(O)C4CCOCC4)cn23)c1.
What is the InChIKey of N-cyclopropyl-3-[1-[6-[hydroxy(oxan-4-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is JQFNRAMUBPTNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-17-2-3-19(27(34)30-22-5-6-22)12-23(17)21-13-29-32(16-21)25-14-28-24-7-4-20(15-31(24)25)26(33)18-8-10-35-11-9-18/h2-4,7,12-16,18,22,26,33H,5-6,8-11H2,1H3,(H,30,34).
What are the key properties of N-cyclopropyl-3-[1-[6-[hydroxy(oxan-4-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
N-cyclopropyl-3-[1-[6-[hydroxy(oxan-4-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 471.56 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[6-[hydroxy(oxan-4-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 134328509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).