2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide

C20H25N7O — CID 143507194

IUPAC2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
SMILESCn1nc(CNCC2CCN(c3ncc(C(N)=O)cn3)CC2)c2ccccc21
InChIInChI=1S/C20H25N7O/c1-26-18-5-3-2-4-16(18)17(25-26)13-22-10-14-6-8-27(9-7-14)20-23-11-15(12-24-20)19(21)28/h2-5,11-12,14,22H,6-10,13H2,1H3,(H2,21,28)
InChIKeyLKXUOOVMHUFGSL-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.47
Rot. Bonds6

About 2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide

2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide (PubChem CID 143507194) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
PubChem CID143507194
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
SMILESCn1nc(CNCC2CCN(c3ncc(C(N)=O)cn3)CC2)c2ccccc21
InChIInChI=1S/C20H25N7O/c1-26-18-5-3-2-4-16(18)17(25-26)13-22-10-14-6-8-27(9-7-14)20-23-11-15(12-24-20)19(21)28/h2-5,11-12,14,22H,6-10,13H2,1H3,(H2,21,28)
InChIKeyLKXUOOVMHUFGSL-UHFFFAOYSA-N
XLogP1.47
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide (CID 143507194) is 2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide is Cn1nc(CNCC2CCN(c3ncc(C(N)=O)cn3)CC2)c2ccccc21.
What is the InChIKey of 2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is LKXUOOVMHUFGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-26-18-5-3-2-4-16(18)17(25-26)13-22-10-14-6-8-27(9-7-14)20-23-11-15(12-24-20)19(21)28/h2-5,11-12,14,22H,6-10,13H2,1H3,(H2,21,28).
What are the key properties of 2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 379.47 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 143507194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).