N,N'-dimethyl-N'-[[3-[4-(methylamino)-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine

C21H32N6 — CID 131981000

IUPACN,N'-dimethyl-N'-[[3-[4-(methylamino)-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1cccc(-c2cc(NC)c3c(n2)N(C(C)C)NC3)c1
InChIInChI=1S/C21H32N6/c1-15(2)27-21-18(13-24-27)20(23-4)12-19(25-21)17-8-6-7-16(11-17)14-26(5)10-9-22-3/h6-8,11-12,15,22,24H,9-10,13-14H2,1-5H3,(H,23,25)
InChIKeySKZSQSASOMPFBX-UHFFFAOYSA-N
MW368.53 g/mol
LogP2.67
Rot. Bonds8

About N,N'-dimethyl-N'-[[3-[4-(methylamino)-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[[3-[4-(methylamino)-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine (PubChem CID 131981000) has the molecular formula C21H32N6 and a molecular weight of 368.53 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[[3-[4-(methylamino)-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[[3-[4-(methylamino)-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine
PubChem CID131981000
Molecular FormulaC21H32N6
Molecular Weight368.53 g/mol
Exact Mass368.27
IUPAC NameN,N'-dimethyl-N'-[[3-[4-(methylamino)-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1cccc(-c2cc(NC)c3c(n2)N(C(C)C)NC3)c1
InChIInChI=1S/C21H32N6/c1-15(2)27-21-18(13-24-27)20(23-4)12-19(25-21)17-8-6-7-16(11-17)14-26(5)10-9-22-3/h6-8,11-12,15,22,24H,9-10,13-14H2,1-5H3,(H,23,25)
InChIKeySKZSQSASOMPFBX-UHFFFAOYSA-N
XLogP2.67
TPSA55.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N,N'-dimethyl-N'-[[3-(1-propan-2-yl-4-propyl-2,3-dihydropyrazolo[3,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine
CID 131980830
N-[5-[(1-methylazetidin-2-yl)methylamino]-5-oxopentyl]-6-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-4-carboxamide
CID 131981001
6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(2-fluorophenyl)methyl]-N-methyl-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-4-carboxamide
CID 131981016
N,N'-dimethyl-N'-[[3-[4-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine
CID 131980598
[6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 131981101
N'-[[3-[4-[[methoxy(methyl)amino]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 131980848
N,N'-dimethyl-N'-[[3-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methyl]ethane-1,2-diamine
CID 118974799
ethyl 6-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 131980780
(3-fluoropyrrolidin-1-yl)-[6-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 131980732
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 131980580
1-[6-[3-[[butyl(methyl)amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-propan-2-ylurea
CID 161196366
6-(3-acetamidophenyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-4-carboxamide
CID 123292327

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[[3-[4-(methylamino)-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[[3-[4-(methylamino)-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine (CID 131981000) is N,N'-dimethyl-N'-[[3-[4-(methylamino)-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[[3-[4-(methylamino)-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[[3-[4-(methylamino)-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine is CNCCN(C)Cc1cccc(-c2cc(NC)c3c(n2)N(C(C)C)NC3)c1.
What is the InChIKey of N,N'-dimethyl-N'-[[3-[4-(methylamino)-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine?
The InChIKey is SKZSQSASOMPFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6/c1-15(2)27-21-18(13-24-27)20(23-4)12-19(25-21)17-8-6-7-16(11-17)14-26(5)10-9-22-3/h6-8,11-12,15,22,24H,9-10,13-14H2,1-5H3,(H,23,25).
What are the key properties of N,N'-dimethyl-N'-[[3-[4-(methylamino)-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[[3-[4-(methylamino)-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine has a molecular weight of 368.53 g/mol, XLogP of 2.67, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[[3-[4-(methylamino)-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 131981000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).