N-[5-[3-[[(1S,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C21H23N5O3 — CID 171592943

IUPACN-[5-[3-[[(1S,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1onc(O[C@H]2C[C@@H]3C[C@H]2CN3)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
InChIInChI=1S/C21H23N5O3/c1-11-19(21(25-29-11)28-17-8-15-6-14(17)10-22-15)13-4-5-26-16(7-13)9-18(24-26)23-20(27)12-2-3-12/h4-5,7,9,12,14-15,17,22H,2-3,6,8,10H2,1H3,(H,23,24,27)/t14-,15-,17-/m0/s1
InChIKeyVOQWPRZZZDXNKN-ZOBUZTSGSA-N
MW393.45 g/mol
LogP2.78
Rot. Bonds5

About N-[5-[3-[[(1S,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[3-[[(1S,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 171592943) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[5-[3-[[(1S,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-[[(1S,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID171592943
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-[5-[3-[[(1S,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1onc(O[C@H]2C[C@@H]3C[C@H]2CN3)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
InChIInChI=1S/C21H23N5O3/c1-11-19(21(25-29-11)28-17-8-15-6-14(17)10-22-15)13-4-5-26-16(7-13)9-18(24-26)23-20(27)12-2-3-12/h4-5,7,9,12,14-15,17,22H,2-3,6,8,10H2,1H3,(H,23,24,27)/t14-,15-,17-/m0/s1
InChIKeyVOQWPRZZZDXNKN-ZOBUZTSGSA-N
XLogP2.78
TPSA93.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[3-[[(1S,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[[(1S,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[3-[[(1S,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 171592943) is N-[5-[3-[[(1S,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[3-[[(1S,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[3-[[(1S,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is Cc1onc(O[C@H]2C[C@@H]3C[C@H]2CN3)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1.
What is the InChIKey of N-[5-[3-[[(1S,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is VOQWPRZZZDXNKN-ZOBUZTSGSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-11-19(21(25-29-11)28-17-8-15-6-14(17)10-22-15)13-4-5-26-16(7-13)9-18(24-26)23-20(27)12-2-3-12/h4-5,7,9,12,14-15,17,22H,2-3,6,8,10H2,1H3,(H,23,24,27)/t14-,15-,17-/m0/s1.
What are the key properties of N-[5-[3-[[(1S,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[3-[[(1S,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[[(1S,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 171592943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).