N-[5-[5-methyl-3-[[(3S)-morpholin-3-yl]methoxy]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C20H23N5O4 — CID 164606061

IUPACN-[5-[5-methyl-3-[[(3S)-morpholin-3-yl]methoxy]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1onc(OC[C@@H]2COCCN2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
InChIInChI=1S/C20H23N5O4/c1-12-18(20(24-29-12)28-11-15-10-27-7-5-21-15)14-4-6-25-16(8-14)9-17(23-25)22-19(26)13-2-3-13/h4,6,8-9,13,15,21H,2-3,5,7,10-11H2,1H3,(H,22,23,26)/t15-/m0/s1
InChIKeyOEKPSIIOHWXRQH-HNNXBMFYSA-N
MW397.44 g/mol
LogP2.01
Rot. Bonds6

About N-[5-[5-methyl-3-[[(3S)-morpholin-3-yl]methoxy]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[5-methyl-3-[[(3S)-morpholin-3-yl]methoxy]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 164606061) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[5-[5-methyl-3-[[(3S)-morpholin-3-yl]methoxy]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[5-methyl-3-[[(3S)-morpholin-3-yl]methoxy]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID164606061
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC NameN-[5-[5-methyl-3-[[(3S)-morpholin-3-yl]methoxy]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1onc(OC[C@@H]2COCCN2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
InChIInChI=1S/C20H23N5O4/c1-12-18(20(24-29-12)28-11-15-10-27-7-5-21-15)14-4-6-25-16(8-14)9-17(23-25)22-19(26)13-2-3-13/h4,6,8-9,13,15,21H,2-3,5,7,10-11H2,1H3,(H,22,23,26)/t15-/m0/s1
InChIKeyOEKPSIIOHWXRQH-HNNXBMFYSA-N
XLogP2.01
TPSA102.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-methyl-3-[[(3S)-morpholin-3-yl]methoxy]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[5-methyl-3-[[(3S)-morpholin-3-yl]methoxy]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 164606061) is N-[5-[5-methyl-3-[[(3S)-morpholin-3-yl]methoxy]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[5-methyl-3-[[(3S)-morpholin-3-yl]methoxy]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[5-methyl-3-[[(3S)-morpholin-3-yl]methoxy]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is Cc1onc(OC[C@@H]2COCCN2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1.
What is the InChIKey of N-[5-[5-methyl-3-[[(3S)-morpholin-3-yl]methoxy]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is OEKPSIIOHWXRQH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-12-18(20(24-29-12)28-11-15-10-27-7-5-21-15)14-4-6-25-16(8-14)9-17(23-25)22-19(26)13-2-3-13/h4,6,8-9,13,15,21H,2-3,5,7,10-11H2,1H3,(H,22,23,26)/t15-/m0/s1.
What are the key properties of N-[5-[5-methyl-3-[[(3S)-morpholin-3-yl]methoxy]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[5-methyl-3-[[(3S)-morpholin-3-yl]methoxy]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 397.44 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-methyl-3-[[(3S)-morpholin-3-yl]methoxy]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 164606061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).