N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(1H-indazol-6-yl)-1H-indazole-5-carboxamide

C28H27FN6O2 — CID 56591398

IUPACN-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(1H-indazol-6-yl)-1H-indazole-5-carboxamide
SMILESCOc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5cn[nH]c5c4)c3c2)C1
InChIInChI=1S/C28H27FN6O2/c1-37-26-6-2-5-23(29)22(26)16-35-11-3-4-20(15-35)31-28(36)18-9-10-24-21(12-18)27(34-33-24)17-7-8-19-14-30-32-25(19)13-17/h2,5-10,12-14,20H,3-4,11,15-16H2,1H3,(H,30,32)(H,31,36)(H,33,34)/t20-/m1/s1
InChIKeyKSAWLQWRTIWPGL-HXUWFJFHSA-N
MW498.56 g/mol
LogP4.65
Rot. Bonds6

About N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(1H-indazol-6-yl)-1H-indazole-5-carboxamide

N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(1H-indazol-6-yl)-1H-indazole-5-carboxamide (PubChem CID 56591398) has the molecular formula C28H27FN6O2 and a molecular weight of 498.56 g/mol. Its IUPAC name is N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(1H-indazol-6-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(1H-indazol-6-yl)-1H-indazole-5-carboxamide
PubChem CID56591398
Molecular FormulaC28H27FN6O2
Molecular Weight498.56 g/mol
Exact Mass498.22
IUPAC NameN-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(1H-indazol-6-yl)-1H-indazole-5-carboxamide
SMILESCOc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5cn[nH]c5c4)c3c2)C1
InChIInChI=1S/C28H27FN6O2/c1-37-26-6-2-5-23(29)22(26)16-35-11-3-4-20(15-35)31-28(36)18-9-10-24-21(12-18)27(34-33-24)17-7-8-19-14-30-32-25(19)13-17/h2,5-10,12-14,20H,3-4,11,15-16H2,1H3,(H,30,32)(H,31,36)(H,33,34)/t20-/m1/s1
InChIKeyKSAWLQWRTIWPGL-HXUWFJFHSA-N
XLogP4.65
TPSA98.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 118888912
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CID 118888914
CID 118888929
CID 118888929
CID 118888943
CID 118888943
CID 122600919
CID 122600919
CID 91970759
CID 91970759
CID 91970760
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CID 44525766
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CID 46884754

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(1H-indazol-6-yl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(1H-indazol-6-yl)-1H-indazole-5-carboxamide (CID 56591398) is N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(1H-indazol-6-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(1H-indazol-6-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(1H-indazol-6-yl)-1H-indazole-5-carboxamide is COc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5cn[nH]c5c4)c3c2)C1.
What is the InChIKey of N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(1H-indazol-6-yl)-1H-indazole-5-carboxamide?
The InChIKey is KSAWLQWRTIWPGL-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H27FN6O2/c1-37-26-6-2-5-23(29)22(26)16-35-11-3-4-20(15-35)31-28(36)18-9-10-24-21(12-18)27(34-33-24)17-7-8-19-14-30-32-25(19)13-17/h2,5-10,12-14,20H,3-4,11,15-16H2,1H3,(H,30,32)(H,31,36)(H,33,34)/t20-/m1/s1.
What are the key properties of N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(1H-indazol-6-yl)-1H-indazole-5-carboxamide?
N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(1H-indazol-6-yl)-1H-indazole-5-carboxamide has a molecular weight of 498.56 g/mol, XLogP of 4.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(1H-indazol-6-yl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 56591398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).