N,N-dimethyl-1-[5-[3-(5-piperidin-1-yl-1,4-dihydropyrido[3,4-d]pyrimidin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine

C26H29N9 — CID 145037762

IUPACN,N-dimethyl-1-[5-[3-(5-piperidin-1-yl-1,4-dihydropyrido[3,4-d]pyrimidin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
SMILESCN(C)Cc1cncc(-c2cc3c(C4=NCc5c(cncc5N5CCCCC5)N4)n[nH]c3cn2)c1
InChIInChI=1S/C26H29N9/c1-34(2)16-17-8-18(11-27-10-17)21-9-19-23(14-29-21)32-33-25(19)26-30-12-20-22(31-26)13-28-15-24(20)35-6-4-3-5-7-35/h8-11,13-15H,3-7,12,16H2,1-2H3,(H,30,31)(H,32,33)
InChIKeyITWCVMIAKYFEKD-UHFFFAOYSA-N
MW467.58 g/mol
LogP3.84
Rot. Bonds5

About N,N-dimethyl-1-[5-[3-(5-piperidin-1-yl-1,4-dihydropyrido[3,4-d]pyrimidin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine

N,N-dimethyl-1-[5-[3-(5-piperidin-1-yl-1,4-dihydropyrido[3,4-d]pyrimidin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine (PubChem CID 145037762) has the molecular formula C26H29N9 and a molecular weight of 467.58 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[3-(5-piperidin-1-yl-1,4-dihydropyrido[3,4-d]pyrimidin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[3-(5-piperidin-1-yl-1,4-dihydropyrido[3,4-d]pyrimidin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
PubChem CID145037762
Molecular FormulaC26H29N9
Molecular Weight467.58 g/mol
Exact Mass467.25
IUPAC NameN,N-dimethyl-1-[5-[3-(5-piperidin-1-yl-1,4-dihydropyrido[3,4-d]pyrimidin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
SMILESCN(C)Cc1cncc(-c2cc3c(C4=NCc5c(cncc5N5CCCCC5)N4)n[nH]c3cn2)c1
InChIInChI=1S/C26H29N9/c1-34(2)16-17-8-18(11-27-10-17)21-9-19-23(14-29-21)32-33-25(19)26-30-12-20-22(31-26)13-28-15-24(20)35-6-4-3-5-7-35/h8-11,13-15H,3-7,12,16H2,1-2H3,(H,30,31)(H,32,33)
InChIKeyITWCVMIAKYFEKD-UHFFFAOYSA-N
XLogP3.84
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.58
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-1-[5-[3-(5-piperidin-1-yl-1,4-dihydropyrido[3,4-d]pyrimidin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine with MolForge

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Related Compounds

N,N-dimethyl-1-[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
CID 138603206
3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137311576
N,N-dimethyl-1-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine
CID 136643317
1-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137102026
3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 138603218
1-[5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137055616
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine
CID 137143006
N,N-dimethyl-2-[[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
CID 138603240
5-(5-methoxy-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137033318
N-[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide
CID 137311410
N,N-dimethyl-1-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
CID 137102885
N,N-dimethyl-1-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136946481

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[3-(5-piperidin-1-yl-1,4-dihydropyrido[3,4-d]pyrimidin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-[3-(5-piperidin-1-yl-1,4-dihydropyrido[3,4-d]pyrimidin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine (CID 145037762) is N,N-dimethyl-1-[5-[3-(5-piperidin-1-yl-1,4-dihydropyrido[3,4-d]pyrimidin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-[3-(5-piperidin-1-yl-1,4-dihydropyrido[3,4-d]pyrimidin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-[3-(5-piperidin-1-yl-1,4-dihydropyrido[3,4-d]pyrimidin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine is CN(C)Cc1cncc(-c2cc3c(C4=NCc5c(cncc5N5CCCCC5)N4)n[nH]c3cn2)c1.
What is the InChIKey of N,N-dimethyl-1-[5-[3-(5-piperidin-1-yl-1,4-dihydropyrido[3,4-d]pyrimidin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine?
The InChIKey is ITWCVMIAKYFEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N9/c1-34(2)16-17-8-18(11-27-10-17)21-9-19-23(14-29-21)32-33-25(19)26-30-12-20-22(31-26)13-28-15-24(20)35-6-4-3-5-7-35/h8-11,13-15H,3-7,12,16H2,1-2H3,(H,30,31)(H,32,33).
What are the key properties of N,N-dimethyl-1-[5-[3-(5-piperidin-1-yl-1,4-dihydropyrido[3,4-d]pyrimidin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine?
N,N-dimethyl-1-[5-[3-(5-piperidin-1-yl-1,4-dihydropyrido[3,4-d]pyrimidin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine has a molecular weight of 467.58 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[3-(5-piperidin-1-yl-1,4-dihydropyrido[3,4-d]pyrimidin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 145037762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).