N,3,5-trimethyl-N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]butyl]-3,4-dihydropyrazole-2-carboxamide

C24H38N10O — CID 123612808

IUPACN,3,5-trimethyl-N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]butyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCC1=NN(C(=O)N(C)CCCCc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)C(C)C1
InChIInChI=1S/C24H38N10O/c1-17-15-22(29-28-17)26-21-16-23(33-12-10-31(4)11-13-33)27-20(25-21)8-6-7-9-32(5)24(35)34-19(3)14-18(2)30-34/h15-16,19H,6-14H2,1-5H3,(H2,25,26,27,28,29)
InChIKeyGVZMKMXFRUKUPG-UHFFFAOYSA-N
MW482.64 g/mol
LogP2.85
Rot. Bonds8

About N,3,5-trimethyl-N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]butyl]-3,4-dihydropyrazole-2-carboxamide

N,3,5-trimethyl-N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]butyl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 123612808) has the molecular formula C24H38N10O and a molecular weight of 482.64 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]butyl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]butyl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID123612808
Molecular FormulaC24H38N10O
Molecular Weight482.64 g/mol
Exact Mass482.32
IUPAC NameN,3,5-trimethyl-N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]butyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCC1=NN(C(=O)N(C)CCCCc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)C(C)C1
InChIInChI=1S/C24H38N10O/c1-17-15-22(29-28-17)26-21-16-23(33-12-10-31(4)11-13-33)27-20(25-21)8-6-7-9-32(5)24(35)34-19(3)14-18(2)30-34/h15-16,19H,6-14H2,1-5H3,(H2,25,26,27,28,29)
InChIKeyGVZMKMXFRUKUPG-UHFFFAOYSA-N
XLogP2.85
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.64
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]butyl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N,3,5-trimethyl-N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]butyl]-3,4-dihydropyrazole-2-carboxamide (CID 123612808) is N,3,5-trimethyl-N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]butyl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N,3,5-trimethyl-N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]butyl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N,3,5-trimethyl-N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]butyl]-3,4-dihydropyrazole-2-carboxamide is CC1=NN(C(=O)N(C)CCCCc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)C(C)C1.
What is the InChIKey of N,3,5-trimethyl-N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]butyl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is GVZMKMXFRUKUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N10O/c1-17-15-22(29-28-17)26-21-16-23(33-12-10-31(4)11-13-33)27-20(25-21)8-6-7-9-32(5)24(35)34-19(3)14-18(2)30-34/h15-16,19H,6-14H2,1-5H3,(H2,25,26,27,28,29).
What are the key properties of N,3,5-trimethyl-N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]butyl]-3,4-dihydropyrazole-2-carboxamide?
N,3,5-trimethyl-N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]butyl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 482.64 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]butyl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 123612808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).