N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-fluoropyridine-3-carboxamide

C25H20ClF2N5O2 — CID 56659488

IUPACN-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-fluoropyridine-3-carboxamide
SMILESC[C@@H](NC(=O)C1(NC(=O)c2cncc(F)c2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F
InChIInChI=1S/C25H20ClF2N5O2/c1-14(30-24(35)25(8-9-25)31-23(34)15-10-16(27)13-29-12-15)18-7-6-17(11-20(18)28)33-21-5-3-2-4-19(21)22(26)32-33/h2-7,10-14H,8-9H2,1H3,(H,30,35)(H,31,34)/t14-/m1/s1
InChIKeyDQTRMZOCNFPOML-CQSZACIVSA-N
MW495.92 g/mol
LogP4.49
Rot. Bonds6

About N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-fluoropyridine-3-carboxamide

N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-fluoropyridine-3-carboxamide (PubChem CID 56659488) has the molecular formula C25H20ClF2N5O2 and a molecular weight of 495.92 g/mol. Its IUPAC name is N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-fluoropyridine-3-carboxamide
PubChem CID56659488
Molecular FormulaC25H20ClF2N5O2
Molecular Weight495.92 g/mol
Exact Mass495.13
IUPAC NameN-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-fluoropyridine-3-carboxamide
SMILESC[C@@H](NC(=O)C1(NC(=O)c2cncc(F)c2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F
InChIInChI=1S/C25H20ClF2N5O2/c1-14(30-24(35)25(8-9-25)31-23(34)15-10-16(27)13-29-12-15)18-7-6-17(11-20(18)28)33-21-5-3-2-4-19(21)22(26)32-33/h2-7,10-14H,8-9H2,1H3,(H,30,35)(H,31,34)/t14-/m1/s1
InChIKeyDQTRMZOCNFPOML-CQSZACIVSA-N
XLogP4.49
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.92
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5H-1-benzazepin-5-ylidene acetamide, 1a
CID 9959174
Factor D inhibitor 6
CID 68283608
5H-1-benzazepin-5-ylidene acetamide, 10c
CID 44520873
5H-1-benzazepin-5-ylidene acetamide, 10f
CID 44520876
5H-1-benzazepin-5-ylidene acetamide, 10g
CID 44520877
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
5-chloro-N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 56659489
N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 56666420
N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-2-methoxy-1,3-thiazole-5-carboxamide
CID 56669798
N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-methylpyridine-3-carboxamide
CID 56669838
N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-methoxypyridine-3-carboxamide
CID 56669839

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-fluoropyridine-3-carboxamide (CID 56659488) is N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-fluoropyridine-3-carboxamide is C[C@@H](NC(=O)C1(NC(=O)c2cncc(F)c2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F.
What is the InChIKey of N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is DQTRMZOCNFPOML-CQSZACIVSA-N. The full InChI is InChI=1S/C25H20ClF2N5O2/c1-14(30-24(35)25(8-9-25)31-23(34)15-10-16(27)13-29-12-15)18-7-6-17(11-20(18)28)33-21-5-3-2-4-19(21)22(26)32-33/h2-7,10-14H,8-9H2,1H3,(H,30,35)(H,31,34)/t14-/m1/s1.
What are the key properties of N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-fluoropyridine-3-carboxamide?
N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 495.92 g/mol, XLogP of 4.49, 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]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 56659488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).