N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C19H26N6O — CID 124939653

IUPACN-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1ncc(CNC(=O)c2n[nH]c3c2CCCC3)c([C@H]2CCCN2C)n1
InChIInChI=1S/C19H26N6O/c1-12-20-10-13(17(22-12)16-8-5-9-25(16)2)11-21-19(26)18-14-6-3-4-7-15(14)23-24-18/h10,16H,3-9,11H2,1-2H3,(H,21,26)(H,23,24)/t16-/m1/s1
InChIKeyAAXQAIPUEZQJOJ-MRXNPFEDSA-N
MW354.46 g/mol
LogP2.08
Rot. Bonds4

About N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 124939653) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID124939653
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1ncc(CNC(=O)c2n[nH]c3c2CCCC3)c([C@H]2CCCN2C)n1
InChIInChI=1S/C19H26N6O/c1-12-20-10-13(17(22-12)16-8-5-9-25(16)2)11-21-19(26)18-14-6-3-4-7-15(14)23-24-18/h10,16H,3-9,11H2,1-2H3,(H,21,26)(H,23,24)/t16-/m1/s1
InChIKeyAAXQAIPUEZQJOJ-MRXNPFEDSA-N
XLogP2.08
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 124939653) is N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is Cc1ncc(CNC(=O)c2n[nH]c3c2CCCC3)c([C@H]2CCCN2C)n1.
What is the InChIKey of N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is AAXQAIPUEZQJOJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N6O/c1-12-20-10-13(17(22-12)16-8-5-9-25(16)2)11-21-19(26)18-14-6-3-4-7-15(14)23-24-18/h10,16H,3-9,11H2,1-2H3,(H,21,26)(H,23,24)/t16-/m1/s1.
What are the key properties of N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 124939653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).