N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide

C26H23ClFN5O2 — CID 56662947

IUPACN-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4nc(Cl)c5ccccc54)cc3F)CC2)cn1
InChIInChI=1S/C26H23ClFN5O2/c1-15-7-8-17(14-29-15)24(34)31-26(11-12-26)25(35)30-16(2)19-10-9-18(13-21(19)28)33-22-6-4-3-5-20(22)23(27)32-33/h3-10,13-14,16H,11-12H2,1-2H3,(H,30,35)(H,31,34)/t16-/m1/s1
InChIKeyPCGXYWLGBAECSY-MRXNPFEDSA-N
MW491.95 g/mol
LogP4.66
Rot. Bonds6

About N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide

N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide (PubChem CID 56662947) has the molecular formula C26H23ClFN5O2 and a molecular weight of 491.95 g/mol. Its IUPAC name is N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide
PubChem CID56662947
Molecular FormulaC26H23ClFN5O2
Molecular Weight491.95 g/mol
Exact Mass491.15
IUPAC NameN-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4nc(Cl)c5ccccc54)cc3F)CC2)cn1
InChIInChI=1S/C26H23ClFN5O2/c1-15-7-8-17(14-29-15)24(34)31-26(11-12-26)25(35)30-16(2)19-10-9-18(13-21(19)28)33-22-6-4-3-5-20(22)23(27)32-33/h3-10,13-14,16H,11-12H2,1-2H3,(H,30,35)(H,31,34)/t16-/m1/s1
InChIKeyPCGXYWLGBAECSY-MRXNPFEDSA-N
XLogP4.66
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.95
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 68283608
(R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide
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Nalpha-{4-[4-(5-Chloro-2-Methylphenyl)piperazin-1-Yl]-2-Fluorobenzoyl}-N-Pyridin-4-Yl-D-Tryptophanamide
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5H-1-benzazepin-5-ylidene acetamide, 10b
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5H-1-benzazepin-5-ylidene acetamide, 10c
CID 44520873
5H-1-benzazepin-5-ylidene acetamide, 10d
CID 44520874
5H-1-benzazepin-5-ylidene acetamide, 10f
CID 44520876
5H-1-benzazepin-5-ylidene acetamide, 10g
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5H-1-benzazepin-5-ylidene acetamide, 10h
CID 44520878
5-bromo-N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 49843511

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide (CID 56662947) is N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4nc(Cl)c5ccccc54)cc3F)CC2)cn1.
What is the InChIKey of N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide?
The InChIKey is PCGXYWLGBAECSY-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H23ClFN5O2/c1-15-7-8-17(14-29-15)24(34)31-26(11-12-26)25(35)30-16(2)19-10-9-18(13-21(19)28)33-22-6-4-3-5-20(22)23(27)32-33/h3-10,13-14,16H,11-12H2,1-2H3,(H,30,35)(H,31,34)/t16-/m1/s1.
What are the key properties of N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide?
N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide has a molecular weight of 491.95 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 56662947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).