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

C19H25N5O2 — CID 155899796

IUPACN-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC1(c2ncc(CNC(=O)c3n[nH]c4c3CCCC4)cn2)CCCCO1
InChIInChI=1S/C19H25N5O2/c1-19(8-4-5-9-26-19)18-21-11-13(12-22-18)10-20-17(25)16-14-6-2-3-7-15(14)23-24-16/h11-12H,2-10H2,1H3,(H,20,25)(H,23,24)
InChIKeyHZHJCGDLMBCYLG-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.42
Rot. Bonds4

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

N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 155899796) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID155899796
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC1(c2ncc(CNC(=O)c3n[nH]c4c3CCCC4)cn2)CCCCO1
InChIInChI=1S/C19H25N5O2/c1-19(8-4-5-9-26-19)18-21-11-13(12-22-18)10-20-17(25)16-14-6-2-3-7-15(14)23-24-16/h11-12H,2-10H2,1H3,(H,20,25)(H,23,24)
InChIKeyHZHJCGDLMBCYLG-UHFFFAOYSA-N
XLogP2.42
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 155899796) is N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CC1(c2ncc(CNC(=O)c3n[nH]c4c3CCCC4)cn2)CCCCO1.
What is the InChIKey of N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is HZHJCGDLMBCYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-19(8-4-5-9-26-19)18-21-11-13(12-22-18)10-20-17(25)16-14-6-2-3-7-15(14)23-24-16/h11-12H,2-10H2,1H3,(H,20,25)(H,23,24).
What are the key properties of N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 155899796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).