N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridin-3-yl]acetamide

C25H28N6O — CID 170187433

IUPACN-[1-(cyclopropylmethyl)piperidin-4-yl]-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridin-3-yl]acetamide
SMILESO=C(Cc1cnn2ccc(-c3c[nH]c4ncccc34)cc12)NC1CCN(CC2CC2)CC1
InChIInChI=1S/C25H28N6O/c32-24(29-20-6-9-30(10-7-20)16-17-3-4-17)13-19-14-28-31-11-5-18(12-23(19)31)22-15-27-25-21(22)2-1-8-26-25/h1-2,5,8,11-12,14-15,17,20H,3-4,6-7,9-10,13,16H2,(H,26,27)(H,29,32)
InChIKeyAITFLJYQSVFDHC-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.41
Rot. Bonds6

About N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridin-3-yl]acetamide

N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridin-3-yl]acetamide (PubChem CID 170187433) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)piperidin-4-yl]-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridin-3-yl]acetamide
PubChem CID170187433
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC NameN-[1-(cyclopropylmethyl)piperidin-4-yl]-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridin-3-yl]acetamide
SMILESO=C(Cc1cnn2ccc(-c3c[nH]c4ncccc34)cc12)NC1CCN(CC2CC2)CC1
InChIInChI=1S/C25H28N6O/c32-24(29-20-6-9-30(10-7-20)16-17-3-4-17)13-19-14-28-31-11-5-18(12-23(19)31)22-15-27-25-21(22)2-1-8-26-25/h1-2,5,8,11-12,14-15,17,20H,3-4,6-7,9-10,13,16H2,(H,26,27)(H,29,32)
InChIKeyAITFLJYQSVFDHC-UHFFFAOYSA-N
XLogP3.41
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53014081
1-[(4-aminocyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 67458151
N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-2-(methylamino)acetamide
CID 87192255
N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-2-(4-pyridin-4-ylpiperazin-1-yl)acetamide
CID 87191932
N-(4-methoxycyclohexyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168774063
5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 175879498
N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]acetamide
CID 87191733
N-(2-methylpiperidin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 120602247
piperidin-1-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone
CID 168772513
3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 175782285
5-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168773533
2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]acetic acid
CID 66413002

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridin-3-yl]acetamide?
The IUPAC name of N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridin-3-yl]acetamide (CID 170187433) is N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridin-3-yl]acetamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridin-3-yl]acetamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridin-3-yl]acetamide is O=C(Cc1cnn2ccc(-c3c[nH]c4ncccc34)cc12)NC1CCN(CC2CC2)CC1.
What is the InChIKey of N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridin-3-yl]acetamide?
The InChIKey is AITFLJYQSVFDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c32-24(29-20-6-9-30(10-7-20)16-17-3-4-17)13-19-14-28-31-11-5-18(12-23(19)31)22-15-27-25-21(22)2-1-8-26-25/h1-2,5,8,11-12,14-15,17,20H,3-4,6-7,9-10,13,16H2,(H,26,27)(H,29,32).
What are the key properties of N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridin-3-yl]acetamide?
N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridin-3-yl]acetamide has a molecular weight of 428.54 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridin-3-yl]acetamide is sourced from PubChem (CID 170187433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).