[(1R,5S)-3-[7-amino-3-[6-(cyclopropylamino)-3-pyridinyl]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone

C26H30N10O — CID 67294987

IUPAC[(1R,5S)-3-[7-amino-3-[6-(cyclopropylamino)-3-pyridinyl]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESCCc1c(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ncn[nH]2)nc2c(-c3ccc(NC4CC4)nc3)cnn2c1N
InChIInChI=1S/C26H30N10O/c1-2-19-22(15-9-17-6-7-18(10-15)35(17)26(37)24-29-13-30-34-24)33-25-20(12-31-36(25)23(19)27)14-3-8-21(28-11-14)32-16-4-5-16/h3,8,11-13,15-18H,2,4-7,9-10,27H2,1H3,(H,28,32)(H,29,30,34)/t15?,17-,18+
InChIKeyCUFFGEQNWGOLPF-ZNXRZULTSA-N
MW498.60 g/mol
LogP3.18
Rot. Bonds6

About [(1R,5S)-3-[7-amino-3-[6-(cyclopropylamino)-3-pyridinyl]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone

[(1R,5S)-3-[7-amino-3-[6-(cyclopropylamino)-3-pyridinyl]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 67294987) has the molecular formula C26H30N10O and a molecular weight of 498.60 g/mol. Its IUPAC name is [(1R,5S)-3-[7-amino-3-[6-(cyclopropylamino)-3-pyridinyl]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name[(1R,5S)-3-[7-amino-3-[6-(cyclopropylamino)-3-pyridinyl]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID67294987
Molecular FormulaC26H30N10O
Molecular Weight498.60 g/mol
Exact Mass498.26
IUPAC Name[(1R,5S)-3-[7-amino-3-[6-(cyclopropylamino)-3-pyridinyl]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESCCc1c(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ncn[nH]2)nc2c(-c3ccc(NC4CC4)nc3)cnn2c1N
InChIInChI=1S/C26H30N10O/c1-2-19-22(15-9-17-6-7-18(10-15)35(17)26(37)24-29-13-30-34-24)33-25-20(12-31-36(25)23(19)27)14-3-8-21(28-11-14)32-16-4-5-16/h3,8,11-13,15-18H,2,4-7,9-10,27H2,1H3,(H,28,32)(H,29,30,34)/t15?,17-,18+
InChIKeyCUFFGEQNWGOLPF-ZNXRZULTSA-N
XLogP3.18
TPSA143.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [(1R,5S)-3-[7-amino-3-[6-(cyclopropylamino)-3-pyridinyl]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[3-[7-amino-6-ethyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 77261335
ethyl N-[5-[6-acetyl-7-amino-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]carbamate
CID 67294944
7-amino-3-(6-phenyl-3-pyridinyl)-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 67294968
1-[7-amino-3-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 67294938
bis([(1R,5S)-3-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone);hydrochloride
CID 160891674
1-[7-amino-3-(6-pyrazol-1-yl-3-pyridinyl)-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 67295202
7-amino-3-(6-phenyl-3-pyridinyl)-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 67294779
1-[7-amino-3-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 67294455
[(5R)-3-[7-amino-3-[2-(aminomethyl)pyrimidin-5-yl]-6-bromopyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 118629456
[3-[7-amino-6-methylsulfonyl-3-[6-(1H-pyrazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 71115750
[(1R,5S)-3-[7-amino-3-(6-cyclobutyloxy-3-pyridinyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 67295208
1-[7-amino-3-[6-(1H-pyrazol-5-yl)-3-pyridinyl]-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 123500363

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-[7-amino-3-[6-(cyclopropylamino)-3-pyridinyl]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of [(1R,5S)-3-[7-amino-3-[6-(cyclopropylamino)-3-pyridinyl]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone (CID 67294987) is [(1R,5S)-3-[7-amino-3-[6-(cyclopropylamino)-3-pyridinyl]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for [(1R,5S)-3-[7-amino-3-[6-(cyclopropylamino)-3-pyridinyl]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for [(1R,5S)-3-[7-amino-3-[6-(cyclopropylamino)-3-pyridinyl]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone is CCc1c(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ncn[nH]2)nc2c(-c3ccc(NC4CC4)nc3)cnn2c1N.
What is the InChIKey of [(1R,5S)-3-[7-amino-3-[6-(cyclopropylamino)-3-pyridinyl]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is CUFFGEQNWGOLPF-ZNXRZULTSA-N. The full InChI is InChI=1S/C26H30N10O/c1-2-19-22(15-9-17-6-7-18(10-15)35(17)26(37)24-29-13-30-34-24)33-25-20(12-31-36(25)23(19)27)14-3-8-21(28-11-14)32-16-4-5-16/h3,8,11-13,15-18H,2,4-7,9-10,27H2,1H3,(H,28,32)(H,29,30,34)/t15?,17-,18+.
What are the key properties of [(1R,5S)-3-[7-amino-3-[6-(cyclopropylamino)-3-pyridinyl]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone?
[(1R,5S)-3-[7-amino-3-[6-(cyclopropylamino)-3-pyridinyl]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 498.60 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-[7-amino-3-[6-(cyclopropylamino)-3-pyridinyl]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 67294987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).