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

C21H25N7 — CID 168772976

IUPACN-[(1R)-1-cyclopropylethyl]-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1nc2ccc(-c3c[nH]c4nc(N[C@H](C)C5CC5)ncc34)nc2n1C(C)C
InChIInChI=1S/C21H25N7/c1-11(2)28-13(4)25-18-8-7-17(26-20(18)28)15-9-22-19-16(15)10-23-21(27-19)24-12(3)14-5-6-14/h7-12,14H,5-6H2,1-4H3,(H2,22,23,24,27)/t12-/m1/s1
InChIKeyAVYUMSFKJSQOKQ-GFCCVEGCSA-N
MW375.48 g/mol
LogP4.47
Rot. Bonds5

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

N-[(1R)-1-cyclopropylethyl]-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 168772976) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID168772976
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC NameN-[(1R)-1-cyclopropylethyl]-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1nc2ccc(-c3c[nH]c4nc(N[C@H](C)C5CC5)ncc34)nc2n1C(C)C
InChIInChI=1S/C21H25N7/c1-11(2)28-13(4)25-18-8-7-17(26-20(18)28)15-9-22-19-16(15)10-23-21(27-19)24-12(3)14-5-6-14/h7-12,14H,5-6H2,1-4H3,(H2,22,23,24,27)/t12-/m1/s1
InChIKeyAVYUMSFKJSQOKQ-GFCCVEGCSA-N
XLogP4.47
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 168772976) is N-[(1R)-1-cyclopropylethyl]-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Cc1nc2ccc(-c3c[nH]c4nc(N[C@H](C)C5CC5)ncc34)nc2n1C(C)C.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is AVYUMSFKJSQOKQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H25N7/c1-11(2)28-13(4)25-18-8-7-17(26-20(18)28)15-9-22-19-16(15)10-23-21(27-19)24-12(3)14-5-6-14/h7-12,14H,5-6H2,1-4H3,(H2,22,23,24,27)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
N-[(1R)-1-cyclopropylethyl]-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 375.48 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 168772976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).