N-cyclopropyl-3-[1-[6-[(1R)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide

C23H23N5O2 — CID 134328604

IUPACN-cyclopropyl-3-[1-[6-[(1R)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc([C@@H](C)O)cn23)c1
InChIInChI=1S/C23H23N5O2/c1-14-3-4-16(23(30)26-19-6-7-19)9-20(14)18-10-25-28(13-18)22-11-24-21-8-5-17(15(2)29)12-27(21)22/h3-5,8-13,15,19,29H,6-7H2,1-2H3,(H,26,30)/t15-/m1/s1
InChIKeyMSSHFHUQQPZLCQ-OAHLLOKOSA-N
MW401.47 g/mol
LogP3.44
Rot. Bonds5

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

N-cyclopropyl-3-[1-[6-[(1R)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide (PubChem CID 134328604) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[6-[(1R)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[6-[(1R)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
PubChem CID134328604
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-cyclopropyl-3-[1-[6-[(1R)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc([C@@H](C)O)cn23)c1
InChIInChI=1S/C23H23N5O2/c1-14-3-4-16(23(30)26-19-6-7-19)9-20(14)18-10-25-28(13-18)22-11-24-21-8-5-17(15(2)29)12-27(21)22/h3-5,8-13,15,19,29H,6-7H2,1-2H3,(H,26,30)/t15-/m1/s1
InChIKeyMSSHFHUQQPZLCQ-OAHLLOKOSA-N
XLogP3.44
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[6-[(1R)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-[6-[(1R)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide (CID 134328604) is N-cyclopropyl-3-[1-[6-[(1R)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[6-[(1R)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-[6-[(1R)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc([C@@H](C)O)cn23)c1.
What is the InChIKey of N-cyclopropyl-3-[1-[6-[(1R)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is MSSHFHUQQPZLCQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-14-3-4-16(23(30)26-19-6-7-19)9-20(14)18-10-25-28(13-18)22-11-24-21-8-5-17(15(2)29)12-27(21)22/h3-5,8-13,15,19,29H,6-7H2,1-2H3,(H,26,30)/t15-/m1/s1.
What are the key properties of N-cyclopropyl-3-[1-[6-[(1R)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
N-cyclopropyl-3-[1-[6-[(1R)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 401.47 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[6-[(1R)-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 134328604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).