N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide

C26H25FN4O3 — CID 69002109

IUPACN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide
SMILESCOc1ccc(C(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H](CO)NC(=O)C2CC2)cn1
InChIInChI=1S/C26H25FN4O3/c1-34-24-11-5-18(13-28-24)25(22(15-32)30-26(33)16-2-3-16)17-4-10-23-19(12-17)14-29-31(23)21-8-6-20(27)7-9-21/h4-14,16,22,25,32H,2-3,15H2,1H3,(H,30,33)/t22-,25?/m1/s1
InChIKeyZGDFDXJCUNCORC-UFUCKMQHSA-N
MW460.51 g/mol
LogP3.59
Rot. Bonds8

About N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide

N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide (PubChem CID 69002109) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide
PubChem CID69002109
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC NameN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide
SMILESCOc1ccc(C(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H](CO)NC(=O)C2CC2)cn1
InChIInChI=1S/C26H25FN4O3/c1-34-24-11-5-18(13-28-24)25(22(15-32)30-26(33)16-2-3-16)17-4-10-23-19(12-17)14-29-31(23)21-8-6-20(27)7-9-21/h4-14,16,22,25,32H,2-3,15H2,1H3,(H,30,33)/t22-,25?/m1/s1
InChIKeyZGDFDXJCUNCORC-UFUCKMQHSA-N
XLogP3.59
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide (CID 69002109) is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide is COc1ccc(C(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H](CO)NC(=O)C2CC2)cn1.
What is the InChIKey of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide?
The InChIKey is ZGDFDXJCUNCORC-UFUCKMQHSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-34-24-11-5-18(13-28-24)25(22(15-32)30-26(33)16-2-3-16)17-4-10-23-19(12-17)14-29-31(23)21-8-6-20(27)7-9-21/h4-14,16,22,25,32H,2-3,15H2,1H3,(H,30,33)/t22-,25?/m1/s1.
What are the key properties of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide?
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide has a molecular weight of 460.51 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 69002109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).