N-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine

C21H24N8 — CID 118662262

IUPACN-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCc1nc2cnc(Nc3ccnc(-c4cnn(CC5CC5)c4)n3)cc2n1C(C)C
InChIInChI=1S/C21H24N8/c1-13(2)29-14(3)25-17-10-23-20(8-18(17)29)26-19-6-7-22-21(27-19)16-9-24-28(12-16)11-15-4-5-15/h6-10,12-13,15H,4-5,11H2,1-3H3,(H,22,23,26,27)
InChIKeyOFJHXXDFKSEHFN-UHFFFAOYSA-N
MW388.48 g/mol
LogP4.13
Rot. Bonds6

About N-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine

N-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (PubChem CID 118662262) has the molecular formula C21H24N8 and a molecular weight of 388.48 g/mol. Its IUPAC name is N-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
PubChem CID118662262
Molecular FormulaC21H24N8
Molecular Weight388.48 g/mol
Exact Mass388.21
IUPAC NameN-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCc1nc2cnc(Nc3ccnc(-c4cnn(CC5CC5)c4)n3)cc2n1C(C)C
InChIInChI=1S/C21H24N8/c1-13(2)29-14(3)25-17-10-23-20(8-18(17)29)26-19-6-7-22-21(27-19)16-9-24-28(12-16)11-15-4-5-15/h6-10,12-13,15H,4-5,11H2,1-3H3,(H,22,23,26,27)
InChIKeyOFJHXXDFKSEHFN-UHFFFAOYSA-N
XLogP4.13
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of N-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (CID 118662262) is N-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for N-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for N-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is Cc1nc2cnc(Nc3ccnc(-c4cnn(CC5CC5)c4)n3)cc2n1C(C)C.
What is the InChIKey of N-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is OFJHXXDFKSEHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8/c1-13(2)29-14(3)25-17-10-23-20(8-18(17)29)26-19-6-7-22-21(27-19)16-9-24-28(12-16)11-15-4-5-15/h6-10,12-13,15H,4-5,11H2,1-3H3,(H,22,23,26,27).
What are the key properties of N-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
N-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 388.48 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 118662262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).