(3R)-1-[8-chloro-6-[1-(7H-purin-6-ylamino)ethyl]imidazo[1,5-a]pyridin-5-yl]pyrrolidin-3-ol

C18H19ClN8O — CID 54588207

IUPAC(3R)-1-[8-chloro-6-[1-(7H-purin-6-ylamino)ethyl]imidazo[1,5-a]pyridin-5-yl]pyrrolidin-3-ol
SMILESCC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cncn2c1N1CC[C@@H](O)C1
InChIInChI=1S/C18H19ClN8O/c1-10(25-17-15-16(22-7-21-15)23-8-24-17)12-4-13(19)14-5-20-9-27(14)18(12)26-3-2-11(28)6-26/h4-5,7-11,28H,2-3,6H2,1H3,(H2,21,22,23,24,25)/t10?,11-/m1/s1
InChIKeyFZHRJQUWRXGICW-RRKGBCIJSA-N
MW398.86 g/mol
LogP2.40
Rot. Bonds4

About (3R)-1-[8-chloro-6-[1-(7H-purin-6-ylamino)ethyl]imidazo[1,5-a]pyridin-5-yl]pyrrolidin-3-ol

(3R)-1-[8-chloro-6-[1-(7H-purin-6-ylamino)ethyl]imidazo[1,5-a]pyridin-5-yl]pyrrolidin-3-ol (PubChem CID 54588207) has the molecular formula C18H19ClN8O and a molecular weight of 398.86 g/mol. Its IUPAC name is (3R)-1-[8-chloro-6-[1-(7H-purin-6-ylamino)ethyl]imidazo[1,5-a]pyridin-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[8-chloro-6-[1-(7H-purin-6-ylamino)ethyl]imidazo[1,5-a]pyridin-5-yl]pyrrolidin-3-ol
PubChem CID54588207
Molecular FormulaC18H19ClN8O
Molecular Weight398.86 g/mol
Exact Mass398.14
IUPAC Name(3R)-1-[8-chloro-6-[1-(7H-purin-6-ylamino)ethyl]imidazo[1,5-a]pyridin-5-yl]pyrrolidin-3-ol
SMILESCC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cncn2c1N1CC[C@@H](O)C1
InChIInChI=1S/C18H19ClN8O/c1-10(25-17-15-16(22-7-21-15)23-8-24-17)12-4-13(19)14-5-20-9-27(14)18(12)26-3-2-11(28)6-26/h4-5,7-11,28H,2-3,6H2,1H3,(H2,21,22,23,24,25)/t10?,11-/m1/s1
InChIKeyFZHRJQUWRXGICW-RRKGBCIJSA-N
XLogP2.40
TPSA107.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.86
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[8-chloro-6-[1-(7H-purin-6-ylamino)ethyl]imidazo[1,5-a]pyridin-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[8-chloro-6-[1-(7H-purin-6-ylamino)ethyl]imidazo[1,5-a]pyridin-5-yl]pyrrolidin-3-ol (CID 54588207) is (3R)-1-[8-chloro-6-[1-(7H-purin-6-ylamino)ethyl]imidazo[1,5-a]pyridin-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[8-chloro-6-[1-(7H-purin-6-ylamino)ethyl]imidazo[1,5-a]pyridin-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[8-chloro-6-[1-(7H-purin-6-ylamino)ethyl]imidazo[1,5-a]pyridin-5-yl]pyrrolidin-3-ol is CC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cncn2c1N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[8-chloro-6-[1-(7H-purin-6-ylamino)ethyl]imidazo[1,5-a]pyridin-5-yl]pyrrolidin-3-ol?
The InChIKey is FZHRJQUWRXGICW-RRKGBCIJSA-N. The full InChI is InChI=1S/C18H19ClN8O/c1-10(25-17-15-16(22-7-21-15)23-8-24-17)12-4-13(19)14-5-20-9-27(14)18(12)26-3-2-11(28)6-26/h4-5,7-11,28H,2-3,6H2,1H3,(H2,21,22,23,24,25)/t10?,11-/m1/s1.
What are the key properties of (3R)-1-[8-chloro-6-[1-(7H-purin-6-ylamino)ethyl]imidazo[1,5-a]pyridin-5-yl]pyrrolidin-3-ol?
(3R)-1-[8-chloro-6-[1-(7H-purin-6-ylamino)ethyl]imidazo[1,5-a]pyridin-5-yl]pyrrolidin-3-ol has a molecular weight of 398.86 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[8-chloro-6-[1-(7H-purin-6-ylamino)ethyl]imidazo[1,5-a]pyridin-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 54588207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).