3,5-dimethyl-4-[3-[6-(3-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-N-propan-2-ylpiperazine-1-carboxamide

C25H36N10O — CID 146514156

IUPAC3,5-dimethyl-4-[3-[6-(3-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(C)N(c2ncc3[nH]nc(-c4ccc(N5CCNC(C)C5)nc4)c3n2)C(C)C1
InChIInChI=1S/C25H36N10O/c1-15(2)29-25(36)34-13-17(4)35(18(5)14-34)24-28-11-20-23(30-24)22(32-31-20)19-6-7-21(27-10-19)33-9-8-26-16(3)12-33/h6-7,10-11,15-18,26H,8-9,12-14H2,1-5H3,(H,29,36)(H,31,32)
InChIKeyWTMSFEMDEMGQEG-UHFFFAOYSA-N
MW492.63 g/mol
LogP2.23
Rot. Bonds4

About 3,5-dimethyl-4-[3-[6-(3-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-N-propan-2-ylpiperazine-1-carboxamide

3,5-dimethyl-4-[3-[6-(3-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 146514156) has the molecular formula C25H36N10O and a molecular weight of 492.63 g/mol. Its IUPAC name is 3,5-dimethyl-4-[3-[6-(3-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-4-[3-[6-(3-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID146514156
Molecular FormulaC25H36N10O
Molecular Weight492.63 g/mol
Exact Mass492.31
IUPAC Name3,5-dimethyl-4-[3-[6-(3-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(C)N(c2ncc3[nH]nc(-c4ccc(N5CCNC(C)C5)nc4)c3n2)C(C)C1
InChIInChI=1S/C25H36N10O/c1-15(2)29-25(36)34-13-17(4)35(18(5)14-34)24-28-11-20-23(30-24)22(32-31-20)19-6-7-21(27-10-19)33-9-8-26-16(3)12-33/h6-7,10-11,15-18,26H,8-9,12-14H2,1-5H3,(H,29,36)(H,31,32)
InChIKeyWTMSFEMDEMGQEG-UHFFFAOYSA-N
XLogP2.23
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.63
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3,5-dimethyl-4-[3-[6-(3-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-N-propan-2-ylpiperazine-1-carboxamide with MolForge

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Related Compounds

(3R,5S)-3,5-dimethyl-4-[3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazine-1-carboxylic acid
CID 146448846
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidine
CID 146448838
2-fluoroethyl 3,5-dimethyl-4-[3-[6-(3-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazine-1-carboxylate
CID 146514275
(3R,5S)-3,5-dimethyl-4-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazine-1-carboxylic acid
CID 146448895
(1R,5S)-8-[3-[6-(3-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-2-oxa-8-azabicyclo[3.2.1]octane
CID 146514080
4-[(1S,5R)-8-[3-[6-(3-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]benzonitrile
CID 146449036
methyl 4-[3-(6-fluoro-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3,5-dimethylpiperazine-1-carboxylate
CID 146514277
methyl (3R,5S)-4-[3-[4-[(7S)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3,5-dimethylpiperazine-1-carboxylate
CID 146514285
(3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine
CID 94450647
2-[3-[4-[5-[(2R,6S)-2,6-dimethylpiperazin-1-yl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]pyrrolidin-1-yl]ethanol
CID 175993838
(3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine
CID 94450635
4-[5-[5-[2,6-difluoro-4-(methylaminomethyl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-2-pyridinyl]-N-ethyl-N-methylpiperazine-1-carboxamide
CID 134327160

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[3-[6-(3-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 3,5-dimethyl-4-[3-[6-(3-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-N-propan-2-ylpiperazine-1-carboxamide (CID 146514156) is 3,5-dimethyl-4-[3-[6-(3-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 3,5-dimethyl-4-[3-[6-(3-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 3,5-dimethyl-4-[3-[6-(3-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-N-propan-2-ylpiperazine-1-carboxamide is CC(C)NC(=O)N1CC(C)N(c2ncc3[nH]nc(-c4ccc(N5CCNC(C)C5)nc4)c3n2)C(C)C1.
What is the InChIKey of 3,5-dimethyl-4-[3-[6-(3-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is WTMSFEMDEMGQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N10O/c1-15(2)29-25(36)34-13-17(4)35(18(5)14-34)24-28-11-20-23(30-24)22(32-31-20)19-6-7-21(27-10-19)33-9-8-26-16(3)12-33/h6-7,10-11,15-18,26H,8-9,12-14H2,1-5H3,(H,29,36)(H,31,32).
What are the key properties of 3,5-dimethyl-4-[3-[6-(3-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-N-propan-2-ylpiperazine-1-carboxamide?
3,5-dimethyl-4-[3-[6-(3-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 492.63 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[3-[6-(3-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 146514156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).