6-N-[(1S)-1-(1-methyl-6-pyridin-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]-7H-purine-2,6-diamine

C20H19N9 — CID 73055402

IUPAC6-N-[(1S)-1-(1-methyl-6-pyridin-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]-7H-purine-2,6-diamine
SMILESC[C@H](Nc1nc(N)nc2nc[nH]c12)c1nc2ccn(C)c2cc1-c1ccccn1
InChIInChI=1S/C20H19N9/c1-11(25-19-17-18(24-10-23-17)27-20(21)28-19)16-12(13-5-3-4-7-22-13)9-15-14(26-16)6-8-29(15)2/h3-11H,1-2H3,(H4,21,23,24,25,27,28)/t11-/m0/s1
InChIKeyIZADEWJINMOQLT-NSHDSACASA-N
MW385.44 g/mol
LogP3.06
Rot. Bonds4

About 6-N-[(1S)-1-(1-methyl-6-pyridin-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]-7H-purine-2,6-diamine

6-N-[(1S)-1-(1-methyl-6-pyridin-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]-7H-purine-2,6-diamine (PubChem CID 73055402) has the molecular formula C20H19N9 and a molecular weight of 385.44 g/mol. Its IUPAC name is 6-N-[(1S)-1-(1-methyl-6-pyridin-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(1S)-1-(1-methyl-6-pyridin-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]-7H-purine-2,6-diamine
PubChem CID73055402
Molecular FormulaC20H19N9
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name6-N-[(1S)-1-(1-methyl-6-pyridin-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]-7H-purine-2,6-diamine
SMILESC[C@H](Nc1nc(N)nc2nc[nH]c12)c1nc2ccn(C)c2cc1-c1ccccn1
InChIInChI=1S/C20H19N9/c1-11(25-19-17-18(24-10-23-17)27-20(21)28-19)16-12(13-5-3-4-7-22-13)9-15-14(26-16)6-8-29(15)2/h3-11H,1-2H3,(H4,21,23,24,25,27,28)/t11-/m0/s1
InChIKeyIZADEWJINMOQLT-NSHDSACASA-N
XLogP3.06
TPSA123.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(1S)-1-(1-methyl-6-pyridin-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[(1S)-1-(1-methyl-6-pyridin-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]-7H-purine-2,6-diamine (CID 73055402) is 6-N-[(1S)-1-(1-methyl-6-pyridin-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[(1S)-1-(1-methyl-6-pyridin-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[(1S)-1-(1-methyl-6-pyridin-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]-7H-purine-2,6-diamine is C[C@H](Nc1nc(N)nc2nc[nH]c12)c1nc2ccn(C)c2cc1-c1ccccn1.
What is the InChIKey of 6-N-[(1S)-1-(1-methyl-6-pyridin-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]-7H-purine-2,6-diamine?
The InChIKey is IZADEWJINMOQLT-NSHDSACASA-N. The full InChI is InChI=1S/C20H19N9/c1-11(25-19-17-18(24-10-23-17)27-20(21)28-19)16-12(13-5-3-4-7-22-13)9-15-14(26-16)6-8-29(15)2/h3-11H,1-2H3,(H4,21,23,24,25,27,28)/t11-/m0/s1.
What are the key properties of 6-N-[(1S)-1-(1-methyl-6-pyridin-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]-7H-purine-2,6-diamine?
6-N-[(1S)-1-(1-methyl-6-pyridin-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]-7H-purine-2,6-diamine has a molecular weight of 385.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1S)-1-(1-methyl-6-pyridin-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 73055402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).