N-[(1S)-1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine

C19H15ClN8 — CID 149105410

IUPACN-[(1S)-1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine
SMILESC[C@H](Nc1ncnc2nc[nH]c12)c1nn(-c2cccnc2)c2cc(Cl)ccc12
InChIInChI=1S/C19H15ClN8/c1-11(26-19-17-18(23-9-22-17)24-10-25-19)16-14-5-4-12(20)7-15(14)28(27-16)13-3-2-6-21-8-13/h2-11H,1H3,(H2,22,23,24,25,26)/t11-/m0/s1
InChIKeyQVOCNQLAMBTWCZ-NSHDSACASA-N
MW390.84 g/mol
LogP3.91
Rot. Bonds4

About N-[(1S)-1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine

N-[(1S)-1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine (PubChem CID 149105410) has the molecular formula C19H15ClN8 and a molecular weight of 390.84 g/mol. Its IUPAC name is N-[(1S)-1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine
PubChem CID149105410
Molecular FormulaC19H15ClN8
Molecular Weight390.84 g/mol
Exact Mass390.11
IUPAC NameN-[(1S)-1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine
SMILESC[C@H](Nc1ncnc2nc[nH]c12)c1nn(-c2cccnc2)c2cc(Cl)ccc12
InChIInChI=1S/C19H15ClN8/c1-11(26-19-17-18(23-9-22-17)24-10-25-19)16-14-5-4-12(20)7-15(14)28(27-16)13-3-2-6-21-8-13/h2-11H,1H3,(H2,22,23,24,25,26)/t11-/m0/s1
InChIKeyQVOCNQLAMBTWCZ-NSHDSACASA-N
XLogP3.91
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.84
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of N-[(1S)-1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine (CID 149105410) is N-[(1S)-1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1S)-1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1S)-1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine is C[C@H](Nc1ncnc2nc[nH]c12)c1nn(-c2cccnc2)c2cc(Cl)ccc12.
What is the InChIKey of N-[(1S)-1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine?
The InChIKey is QVOCNQLAMBTWCZ-NSHDSACASA-N. The full InChI is InChI=1S/C19H15ClN8/c1-11(26-19-17-18(23-9-22-17)24-10-25-19)16-14-5-4-12(20)7-15(14)28(27-16)13-3-2-6-21-8-13/h2-11H,1H3,(H2,22,23,24,25,26)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine?
N-[(1S)-1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine has a molecular weight of 390.84 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 149105410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).