N-[(1S)-1-(4-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-7H-purin-6-amine

C19H15ClN8 — CID 175581368

IUPACN-[(1S)-1-(4-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-7H-purin-6-amine
SMILESC[C@H](Nc1ncnc2nc[nH]c12)c1cn(-c2cccnc2)c2nccc(Cl)c12
InChIInChI=1S/C19H15ClN8/c1-11(27-18-16-17(24-9-23-16)25-10-26-18)13-8-28(12-3-2-5-21-7-12)19-15(13)14(20)4-6-22-19/h2-11H,1H3,(H2,23,24,25,26,27)/t11-/m0/s1
InChIKeyMYDZPDBHYHQYOC-NSHDSACASA-N
MW390.84 g/mol
LogP3.91
Rot. Bonds4

About N-[(1S)-1-(4-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-7H-purin-6-amine

N-[(1S)-1-(4-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-7H-purin-6-amine (PubChem CID 175581368) has the molecular formula C19H15ClN8 and a molecular weight of 390.84 g/mol. Its IUPAC name is N-[(1S)-1-(4-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-7H-purin-6-amine
PubChem CID175581368
Molecular FormulaC19H15ClN8
Molecular Weight390.84 g/mol
Exact Mass390.11
IUPAC NameN-[(1S)-1-(4-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-7H-purin-6-amine
SMILESC[C@H](Nc1ncnc2nc[nH]c12)c1cn(-c2cccnc2)c2nccc(Cl)c12
InChIInChI=1S/C19H15ClN8/c1-11(27-18-16-17(24-9-23-16)25-10-26-18)13-8-28(12-3-2-5-21-7-12)19-15(13)14(20)4-6-22-19/h2-11H,1H3,(H2,23,24,25,26,27)/t11-/m0/s1
InChIKeyMYDZPDBHYHQYOC-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-(4-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of N-[(1S)-1-(4-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-7H-purin-6-amine (CID 175581368) is N-[(1S)-1-(4-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1S)-1-(4-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1S)-1-(4-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-7H-purin-6-amine is C[C@H](Nc1ncnc2nc[nH]c12)c1cn(-c2cccnc2)c2nccc(Cl)c12.
What is the InChIKey of N-[(1S)-1-(4-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-7H-purin-6-amine?
The InChIKey is MYDZPDBHYHQYOC-NSHDSACASA-N. The full InChI is InChI=1S/C19H15ClN8/c1-11(27-18-16-17(24-9-23-16)25-10-26-18)13-8-28(12-3-2-5-21-7-12)19-15(13)14(20)4-6-22-19/h2-11H,1H3,(H2,23,24,25,26,27)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-7H-purin-6-amine?
N-[(1S)-1-(4-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-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-(4-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 175581368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).