cis-(1R,3S)-3-[[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]cyclopentan-1-ol

C20H23N7O — CID 46183283

IUPACcis-(1R,3S)-3-[[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]cyclopentan-1-ol
SMILESCc1[nH]nc2cc(Nc3nc4cccc(NC[C@H]5CC[C@@H](O)C5)n4n3)ccc12
InChIInChI=1S/C20H23N7O/c1-12-16-8-6-14(10-17(16)25-24-12)22-20-23-19-4-2-3-18(27(19)26-20)21-11-13-5-7-15(28)9-13/h2-4,6,8,10,13,15,21,28H,5,7,9,11H2,1H3,(H,22,26)(H,24,25)/t13-,15+/m0/s1
InChIKeyLFVCYUPSMWYSRK-DZGCQCFKSA-N
MW377.45 g/mol
LogP3.23
Rot. Bonds5

About cis-(1R,3S)-3-[[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]cyclopentan-1-ol

cis-(1R,3S)-3-[[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 46183283) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]cyclopentan-1-ol
PubChem CID46183283
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Namecis-(1R,3S)-3-[[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]cyclopentan-1-ol
SMILESCc1[nH]nc2cc(Nc3nc4cccc(NC[C@H]5CC[C@@H](O)C5)n4n3)ccc12
InChIInChI=1S/C20H23N7O/c1-12-16-8-6-14(10-17(16)25-24-12)22-20-23-19-4-2-3-18(27(19)26-20)21-11-13-5-7-15(28)9-13/h2-4,6,8,10,13,15,21,28H,5,7,9,11H2,1H3,(H,22,26)(H,24,25)/t13-,15+/m0/s1
InChIKeyLFVCYUPSMWYSRK-DZGCQCFKSA-N
XLogP3.23
TPSA103.16 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze cis-(1R,3S)-3-[[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]cyclopentan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of cis-(1R,3S)-3-[[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]cyclopentan-1-ol (CID 46183283) is cis-(1R,3S)-3-[[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-[[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-[[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]cyclopentan-1-ol is Cc1[nH]nc2cc(Nc3nc4cccc(NC[C@H]5CC[C@@H](O)C5)n4n3)ccc12.
What is the InChIKey of cis-(1R,3S)-3-[[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is LFVCYUPSMWYSRK-DZGCQCFKSA-N. The full InChI is InChI=1S/C20H23N7O/c1-12-16-8-6-14(10-17(16)25-24-12)22-20-23-19-4-2-3-18(27(19)26-20)21-11-13-5-7-15(28)9-13/h2-4,6,8,10,13,15,21,28H,5,7,9,11H2,1H3,(H,22,26)(H,24,25)/t13-,15+/m0/s1.
What are the key properties of cis-(1R,3S)-3-[[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]cyclopentan-1-ol?
cis-(1R,3S)-3-[[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 377.45 g/mol, XLogP of 3.23, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 46183283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).