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

C20H25N7 — CID 168773324

IUPAC5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1nc2ccc(-c3c[nH]c4nc(NCC(C)C)ncc34)nc2n1C(C)C
InChIInChI=1S/C20H25N7/c1-11(2)8-22-20-23-10-15-14(9-21-18(15)26-20)16-6-7-17-19(25-16)27(12(3)4)13(5)24-17/h6-7,9-12H,8H2,1-5H3,(H2,21,22,23,26)
InChIKeyLYHQRVNBEVPRGP-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.33
Rot. Bonds5

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

5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 168773324) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID168773324
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1nc2ccc(-c3c[nH]c4nc(NCC(C)C)ncc34)nc2n1C(C)C
InChIInChI=1S/C20H25N7/c1-11(2)8-22-20-23-10-15-14(9-21-18(15)26-20)16-6-7-17-19(25-16)27(12(3)4)13(5)24-17/h6-7,9-12H,8H2,1-5H3,(H2,21,22,23,26)
InChIKeyLYHQRVNBEVPRGP-UHFFFAOYSA-N
XLogP4.33
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 168773324) is 5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Cc1nc2ccc(-c3c[nH]c4nc(NCC(C)C)ncc34)nc2n1C(C)C.
What is the InChIKey of 5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is LYHQRVNBEVPRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-11(2)8-22-20-23-10-15-14(9-21-18(15)26-20)16-6-7-17-19(25-16)27(12(3)4)13(5)24-17/h6-7,9-12H,8H2,1-5H3,(H2,21,22,23,26).
What are the key properties of 5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 363.47 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 168773324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).