N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-1-methylpyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide

C23H28N10O — CID 162667464

IUPACN,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-1-methylpyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(N[C@@H]5CCN(C)C5)c(C)n4)n3)cc12
InChIInChI=1S/C23H28N10O/c1-14-18(26-16-8-10-31(3)12-16)13-33(29-14)20-7-9-25-23(28-20)27-15-5-6-19-17(11-15)21(22(34)24-2)30-32(19)4/h5-7,9,11,13,16,26H,8,10,12H2,1-4H3,(H,24,34)(H,25,27,28)/t16-/m1/s1
InChIKeyULNFTNRMGXLGKN-MRXNPFEDSA-N
MW460.55 g/mol
LogP2.08
Rot. Bonds6

About N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-1-methylpyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide

N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-1-methylpyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide (PubChem CID 162667464) has the molecular formula C23H28N10O and a molecular weight of 460.55 g/mol. Its IUPAC name is N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-1-methylpyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-1-methylpyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
PubChem CID162667464
Molecular FormulaC23H28N10O
Molecular Weight460.55 g/mol
Exact Mass460.24
IUPAC NameN,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-1-methylpyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(N[C@@H]5CCN(C)C5)c(C)n4)n3)cc12
InChIInChI=1S/C23H28N10O/c1-14-18(26-16-8-10-31(3)12-16)13-33(29-14)20-7-9-25-23(28-20)27-15-5-6-19-17(11-15)21(22(34)24-2)30-32(19)4/h5-7,9,11,13,16,26H,8,10,12H2,1-4H3,(H,24,34)(H,25,27,28)/t16-/m1/s1
InChIKeyULNFTNRMGXLGKN-MRXNPFEDSA-N
XLogP2.08
TPSA117.82 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-1-methylpyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-1-methylpyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide (CID 162667464) is N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-1-methylpyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-1-methylpyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-1-methylpyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide is CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(N[C@@H]5CCN(C)C5)c(C)n4)n3)cc12.
What is the InChIKey of N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-1-methylpyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide?
The InChIKey is ULNFTNRMGXLGKN-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H28N10O/c1-14-18(26-16-8-10-31(3)12-16)13-33(29-14)20-7-9-25-23(28-20)27-15-5-6-19-17(11-15)21(22(34)24-2)30-32(19)4/h5-7,9,11,13,16,26H,8,10,12H2,1-4H3,(H,24,34)(H,25,27,28)/t16-/m1/s1.
What are the key properties of N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-1-methylpyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide?
N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-1-methylpyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide has a molecular weight of 460.55 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-1-methylpyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide is sourced from PubChem (CID 162667464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).