N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide

C27H33N5O5 — CID 170227690

IUPACN-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(N(C)C(=O)[C@@H](C)O)CC3)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O
InChIInChI=1S/C27H33N5O5/c1-16(33)26(35)30(2)18-6-10-20(11-7-18)32-15-17-13-21(24(37-3)14-23(17)29-32)25(34)28-22-5-4-12-31(27(22)36)19-8-9-19/h4-5,12-16,18-20,33H,6-11H2,1-3H3,(H,28,34)/t16-,18?,20?/m1/s1
InChIKeyJVLAKTZEBLZHSJ-PPDQVPDSSA-N
MW507.59 g/mol
LogP3.12
Rot. Bonds7

About N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide

N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide (PubChem CID 170227690) has the molecular formula C27H33N5O5 and a molecular weight of 507.59 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide
PubChem CID170227690
Molecular FormulaC27H33N5O5
Molecular Weight507.59 g/mol
Exact Mass507.25
IUPAC NameN-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(N(C)C(=O)[C@@H](C)O)CC3)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O
InChIInChI=1S/C27H33N5O5/c1-16(33)26(35)30(2)18-6-10-20(11-7-18)32-15-17-13-21(24(37-3)14-23(17)29-32)25(34)28-22-5-4-12-31(27(22)36)19-8-9-19/h4-5,12-16,18-20,33H,6-11H2,1-3H3,(H,28,34)/t16-,18?,20?/m1/s1
InChIKeyJVLAKTZEBLZHSJ-PPDQVPDSSA-N
XLogP3.12
TPSA118.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.59
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide?
The IUPAC name of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide (CID 170227690) is N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide is COc1cc2nn(C3CCC(N(C)C(=O)[C@@H](C)O)CC3)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O.
What is the InChIKey of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide?
The InChIKey is JVLAKTZEBLZHSJ-PPDQVPDSSA-N. The full InChI is InChI=1S/C27H33N5O5/c1-16(33)26(35)30(2)18-6-10-20(11-7-18)32-15-17-13-21(24(37-3)14-23(17)29-32)25(34)28-22-5-4-12-31(27(22)36)19-8-9-19/h4-5,12-16,18-20,33H,6-11H2,1-3H3,(H,28,34)/t16-,18?,20?/m1/s1.
What are the key properties of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide?
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide has a molecular weight of 507.59 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[(2R)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-6-methoxyindazole-5-carboxamide is sourced from PubChem (CID 170227690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).