N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide

C28H30FN5O2 — CID 70652257

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide
SMILESCC(C)Oc1ccc(-c2n[nH]c3ccc(C(=O)NC4CCCN(Cc5ccccc5F)C4)cc23)cn1
InChIInChI=1S/C28H30FN5O2/c1-18(2)36-26-12-10-20(15-30-26)27-23-14-19(9-11-25(23)32-33-27)28(35)31-22-7-5-13-34(17-22)16-21-6-3-4-8-24(21)29/h3-4,6,8-12,14-15,18,22H,5,7,13,16-17H2,1-2H3,(H,31,35)(H,32,33)
InChIKeyOERGTYGYDNZDQC-UHFFFAOYSA-N
MW487.58 g/mol
LogP4.95
Rot. Bonds7

About N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 70652257) has the molecular formula C28H30FN5O2 and a molecular weight of 487.58 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID70652257
Molecular FormulaC28H30FN5O2
Molecular Weight487.58 g/mol
Exact Mass487.24
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide
SMILESCC(C)Oc1ccc(-c2n[nH]c3ccc(C(=O)NC4CCCN(Cc5ccccc5F)C4)cc23)cn1
InChIInChI=1S/C28H30FN5O2/c1-18(2)36-26-12-10-20(15-30-26)27-23-14-19(9-11-25(23)32-33-27)28(35)31-22-7-5-13-34(17-22)16-21-6-3-4-8-24(21)29/h3-4,6,8-12,14-15,18,22H,5,7,13,16-17H2,1-2H3,(H,31,35)(H,32,33)
InChIKeyOERGTYGYDNZDQC-UHFFFAOYSA-N
XLogP4.95
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide (CID 70652257) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide is CC(C)Oc1ccc(-c2n[nH]c3ccc(C(=O)NC4CCCN(Cc5ccccc5F)C4)cc23)cn1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is OERGTYGYDNZDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O2/c1-18(2)36-26-12-10-20(15-30-26)27-23-14-19(9-11-25(23)32-33-27)28(35)31-22-7-5-13-34(17-22)16-21-6-3-4-8-24(21)29/h3-4,6,8-12,14-15,18,22H,5,7,13,16-17H2,1-2H3,(H,31,35)(H,32,33).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 487.58 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 70652257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).