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

C22H23N7 — CID 162676302

IUPACN,N-dimethyl-1-[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
SMILESCc1nn(-c2ccnc3nc(-c4cccc5c4ccn5C)[nH]c23)cc1CN(C)C
InChIInChI=1S/C22H23N7/c1-14-15(12-27(2)3)13-29(26-14)19-8-10-23-22-20(19)24-21(25-22)17-6-5-7-18-16(17)9-11-28(18)4/h5-11,13H,12H2,1-4H3,(H,23,24,25)
InChIKeyWCJUHMIFNPLSSY-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.67
Rot. Bonds4

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

N,N-dimethyl-1-[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine (PubChem CID 162676302) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
PubChem CID162676302
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC NameN,N-dimethyl-1-[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
SMILESCc1nn(-c2ccnc3nc(-c4cccc5c4ccn5C)[nH]c23)cc1CN(C)C
InChIInChI=1S/C22H23N7/c1-14-15(12-27(2)3)13-29(26-14)19-8-10-23-22-20(19)24-21(25-22)17-6-5-7-18-16(17)9-11-28(18)4/h5-11,13H,12H2,1-4H3,(H,23,24,25)
InChIKeyWCJUHMIFNPLSSY-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
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-[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine (CID 162676302) is N,N-dimethyl-1-[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine is Cc1nn(-c2ccnc3nc(-c4cccc5c4ccn5C)[nH]c23)cc1CN(C)C.
What is the InChIKey of N,N-dimethyl-1-[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine?
The InChIKey is WCJUHMIFNPLSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c1-14-15(12-27(2)3)13-29(26-14)19-8-10-23-22-20(19)24-21(25-22)17-6-5-7-18-16(17)9-11-28(18)4/h5-11,13H,12H2,1-4H3,(H,23,24,25).
What are the key properties of N,N-dimethyl-1-[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine?
N,N-dimethyl-1-[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine has a molecular weight of 385.48 g/mol, XLogP of 3.67, 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-[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 162676302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).