N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-5-amine

C17H18N8 — CID 86692156

IUPACN-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCN(c1ccc2[nH]cnc2n1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C17H18N8/c1-24(14-3-2-13-16(23-14)21-9-19-13)11-5-7-25(8-11)17-12-4-6-18-15(12)20-10-22-17/h2-4,6,9-11H,5,7-8H2,1H3,(H,18,20,22)(H,19,21,23)/t11-/m1/s1
InChIKeyMMMGUPVPASWGCI-LLVKDONJSA-N
MW334.39 g/mol
LogP1.94
Rot. Bonds3

About N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-5-amine

N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 86692156) has the molecular formula C17H18N8 and a molecular weight of 334.39 g/mol. Its IUPAC name is N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID86692156
Molecular FormulaC17H18N8
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC NameN-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCN(c1ccc2[nH]cnc2n1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C17H18N8/c1-24(14-3-2-13-16(23-14)21-9-19-13)11-5-7-25(8-11)17-12-4-6-18-15(12)20-10-22-17/h2-4,6,9-11H,5,7-8H2,1H3,(H,18,20,22)(H,19,21,23)/t11-/m1/s1
InChIKeyMMMGUPVPASWGCI-LLVKDONJSA-N
XLogP1.94
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-5-amine (CID 86692156) is N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-5-amine is CN(c1ccc2[nH]cnc2n1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1.
What is the InChIKey of N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is MMMGUPVPASWGCI-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N8/c1-24(14-3-2-13-16(23-14)21-9-19-13)11-5-7-25(8-11)17-12-4-6-18-15(12)20-10-22-17/h2-4,6,9-11H,5,7-8H2,1H3,(H,18,20,22)(H,19,21,23)/t11-/m1/s1.
What are the key properties of N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-5-amine?
N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 334.39 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 86692156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).