N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C19H24N4O2 — CID 112821587

IUPACN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NCc1ccnc(OC2CCCC2)c1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C19H24N4O2/c24-19(18-15-7-3-4-8-16(15)22-23-18)21-12-13-9-10-20-17(11-13)25-14-5-1-2-6-14/h9-11,14H,1-8,12H2,(H,21,24)(H,22,23)
InChIKeyIBMASUAVXFOICW-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.93
Rot. Bonds5

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

N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 112821587) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID112821587
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NCc1ccnc(OC2CCCC2)c1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C19H24N4O2/c24-19(18-15-7-3-4-8-16(15)22-23-18)21-12-13-9-10-20-17(11-13)25-14-5-1-2-6-14/h9-11,14H,1-8,12H2,(H,21,24)(H,22,23)
InChIKeyIBMASUAVXFOICW-UHFFFAOYSA-N
XLogP2.93
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 112821587) is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(NCc1ccnc(OC2CCCC2)c1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is IBMASUAVXFOICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(18-15-7-3-4-8-16(15)22-23-18)21-12-13-9-10-20-17(11-13)25-14-5-1-2-6-14/h9-11,14H,1-8,12H2,(H,21,24)(H,22,23).
What are the key properties of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 112821587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).