N,N-dimethyl-1-[1-methyl-3-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-5-yl]methanamine

C22H23N7 — CID 162652003

IUPACN,N-dimethyl-1-[1-methyl-3-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-5-yl]methanamine
SMILESCN(C)Cc1cc(-c2ccnc3nc(-c4cccc5c4ccn5C)[nH]c23)nn1C
InChIInChI=1S/C22H23N7/c1-27(2)13-14-12-18(26-29(14)4)17-8-10-23-22-20(17)24-21(25-22)16-6-5-7-19-15(16)9-11-28(19)3/h5-12H,13H2,1-4H3,(H,23,24,25)
InChIKeyUNPKPMWGNMHYDF-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.58
Rot. Bonds4

About N,N-dimethyl-1-[1-methyl-3-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-5-yl]methanamine

N,N-dimethyl-1-[1-methyl-3-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-5-yl]methanamine (PubChem CID 162652003) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-methyl-3-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-5-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-methyl-3-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-5-yl]methanamine
PubChem CID162652003
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC NameN,N-dimethyl-1-[1-methyl-3-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-5-yl]methanamine
SMILESCN(C)Cc1cc(-c2ccnc3nc(-c4cccc5c4ccn5C)[nH]c23)nn1C
InChIInChI=1S/C22H23N7/c1-27(2)13-14-12-18(26-29(14)4)17-8-10-23-22-20(17)24-21(25-22)16-6-5-7-19-15(16)9-11-28(19)3/h5-12H,13H2,1-4H3,(H,23,24,25)
InChIKeyUNPKPMWGNMHYDF-UHFFFAOYSA-N
XLogP3.58
TPSA67.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-methyl-3-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-5-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-methyl-3-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-5-yl]methanamine (CID 162652003) is N,N-dimethyl-1-[1-methyl-3-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-5-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-methyl-3-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-5-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-methyl-3-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-5-yl]methanamine is CN(C)Cc1cc(-c2ccnc3nc(-c4cccc5c4ccn5C)[nH]c23)nn1C.
What is the InChIKey of N,N-dimethyl-1-[1-methyl-3-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-5-yl]methanamine?
The InChIKey is UNPKPMWGNMHYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c1-27(2)13-14-12-18(26-29(14)4)17-8-10-23-22-20(17)24-21(25-22)16-6-5-7-19-15(16)9-11-28(19)3/h5-12H,13H2,1-4H3,(H,23,24,25).
What are the key properties of N,N-dimethyl-1-[1-methyl-3-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-5-yl]methanamine?
N,N-dimethyl-1-[1-methyl-3-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-5-yl]methanamine has a molecular weight of 385.48 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-methyl-3-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-5-yl]methanamine is sourced from PubChem (CID 162652003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).