N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(3-fluoro-1-methylindazol-5-yl)cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide

C34H40FN5O2 — CID 135329954

IUPACN-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(3-fluoro-1-methylindazol-5-yl)cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide
SMILESCn1nc(F)c2cc(C3CCC(CN(C(=O)C4CCC(O)CC4)c4cccc(-c5cnn(C6CC6)c5)c4)CC3)ccc21
InChIInChI=1S/C34H40FN5O2/c1-38-32-16-11-26(18-31(32)33(35)37-38)23-7-5-22(6-8-23)20-39(34(42)24-9-14-30(41)15-10-24)29-4-2-3-25(17-29)27-19-36-40(21-27)28-12-13-28/h2-4,11,16-19,21-24,28,30,41H,5-10,12-15,20H2,1H3
InChIKeyJZKASLPHEISBKU-UHFFFAOYSA-N
MW569.73 g/mol
LogP6.77
Rot. Bonds7

About N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(3-fluoro-1-methylindazol-5-yl)cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide

N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(3-fluoro-1-methylindazol-5-yl)cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide (PubChem CID 135329954) has the molecular formula C34H40FN5O2 and a molecular weight of 569.73 g/mol. Its IUPAC name is N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(3-fluoro-1-methylindazol-5-yl)cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(3-fluoro-1-methylindazol-5-yl)cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide
PubChem CID135329954
Molecular FormulaC34H40FN5O2
Molecular Weight569.73 g/mol
Exact Mass569.32
IUPAC NameN-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(3-fluoro-1-methylindazol-5-yl)cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide
SMILESCn1nc(F)c2cc(C3CCC(CN(C(=O)C4CCC(O)CC4)c4cccc(-c5cnn(C6CC6)c5)c4)CC3)ccc21
InChIInChI=1S/C34H40FN5O2/c1-38-32-16-11-26(18-31(32)33(35)37-38)23-7-5-22(6-8-23)20-39(34(42)24-9-14-30(41)15-10-24)29-4-2-3-25(17-29)27-19-36-40(21-27)28-12-13-28/h2-4,11,16-19,21-24,28,30,41H,5-10,12-15,20H2,1H3
InChIKeyJZKASLPHEISBKU-UHFFFAOYSA-N
XLogP6.77
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.73
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(3-fluoro-1-methylindazol-5-yl)cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(3-fluoro-1-methylindazol-5-yl)cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide (CID 135329954) is N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(3-fluoro-1-methylindazol-5-yl)cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(3-fluoro-1-methylindazol-5-yl)cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(3-fluoro-1-methylindazol-5-yl)cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide is Cn1nc(F)c2cc(C3CCC(CN(C(=O)C4CCC(O)CC4)c4cccc(-c5cnn(C6CC6)c5)c4)CC3)ccc21.
What is the InChIKey of N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(3-fluoro-1-methylindazol-5-yl)cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is JZKASLPHEISBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40FN5O2/c1-38-32-16-11-26(18-31(32)33(35)37-38)23-7-5-22(6-8-23)20-39(34(42)24-9-14-30(41)15-10-24)29-4-2-3-25(17-29)27-19-36-40(21-27)28-12-13-28/h2-4,11,16-19,21-24,28,30,41H,5-10,12-15,20H2,1H3.
What are the key properties of N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(3-fluoro-1-methylindazol-5-yl)cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide?
N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(3-fluoro-1-methylindazol-5-yl)cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 569.73 g/mol, XLogP of 6.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-N-[[4-(3-fluoro-1-methylindazol-5-yl)cyclohexyl]methyl]-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 135329954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).