2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-3-yl]acetamide

C16H17N9O — CID 177199239

IUPAC2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-3-yl]acetamide
SMILESCn1ncc2ccc(N3CC[C@H](NC(=O)Cn4cnc(C#N)n4)C3)nc21
InChIInChI=1S/C16H17N9O/c1-23-16-11(7-19-23)2-3-14(21-16)24-5-4-12(8-24)20-15(26)9-25-10-18-13(6-17)22-25/h2-3,7,10,12H,4-5,8-9H2,1H3,(H,20,26)/t12-/m0/s1
InChIKeyRKVXIYVVNRADKE-LBPRGKRZSA-N
MW351.37 g/mol
LogP-0.17
Rot. Bonds4

About 2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-3-yl]acetamide

2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-3-yl]acetamide (PubChem CID 177199239) has the molecular formula C16H17N9O and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-3-yl]acetamide
PubChem CID177199239
Molecular FormulaC16H17N9O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-3-yl]acetamide
SMILESCn1ncc2ccc(N3CC[C@H](NC(=O)Cn4cnc(C#N)n4)C3)nc21
InChIInChI=1S/C16H17N9O/c1-23-16-11(7-19-23)2-3-14(21-16)24-5-4-12(8-24)20-15(26)9-25-10-18-13(6-17)22-25/h2-3,7,10,12H,4-5,8-9H2,1H3,(H,20,26)/t12-/m0/s1
InChIKeyRKVXIYVVNRADKE-LBPRGKRZSA-N
XLogP-0.17
TPSA117.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]acetamide
CID 177199225
2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-(2-methylquinoxalin-6-yl)pyrrolidin-3-yl]acetamide
CID 177199216
2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-methylpyrrolidin-3-yl)acetamide
CID 177199219
2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-(2-methylquinolin-6-yl)pyrrolidin-3-yl]acetamide
CID 176514755
2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-[2-(trifluoromethyl)quinolin-6-yl]pyrrolidin-3-yl]acetamide
CID 177199247
2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-methylpyrrolidin-3-yl)acetamide;1,2-dihydroisoquinoline;ethane
CID 177199254
2-pyrazol-1-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142764
N-(5-amino-2-methylphenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide
CID 55157356
N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]propanamide
CID 138005845
N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol
CID 145425836
4-[2-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpyrazole-5-carbonitrile
CID 166765711
2-(3-cyano-1,2,4-triazol-1-yl)-N-prop-2-ynylacetamide
CID 60710130

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-3-yl]acetamide (CID 177199239) is 2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-3-yl]acetamide is Cn1ncc2ccc(N3CC[C@H](NC(=O)Cn4cnc(C#N)n4)C3)nc21.
What is the InChIKey of 2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is RKVXIYVVNRADKE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17N9O/c1-23-16-11(7-19-23)2-3-14(21-16)24-5-4-12(8-24)20-15(26)9-25-10-18-13(6-17)22-25/h2-3,7,10,12H,4-5,8-9H2,1H3,(H,20,26)/t12-/m0/s1.
What are the key properties of 2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-3-yl]acetamide?
2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 351.37 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3S)-1-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 177199239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).