2-[4-[cyclopropanecarbonyl(methyl)amino]cyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide

C26H29N7O3 — CID 167108688

IUPAC2-[4-[cyclopropanecarbonyl(methyl)amino]cyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(N(C)C(=O)C4CC4)CC3)cc2cc1C(=O)Nc1cnn2cccnc12
InChIInChI=1S/C26H29N7O3/c1-31(26(35)16-4-5-16)18-6-8-19(9-7-18)33-15-17-12-20(23(36-2)13-21(17)30-33)25(34)29-22-14-28-32-11-3-10-27-24(22)32/h3,10-16,18-19H,4-9H2,1-2H3,(H,29,34)
InChIKeyPREIVRWVLYLXTE-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.69
Rot. Bonds6

About 2-[4-[cyclopropanecarbonyl(methyl)amino]cyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide

2-[4-[cyclopropanecarbonyl(methyl)amino]cyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide (PubChem CID 167108688) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-[4-[cyclopropanecarbonyl(methyl)amino]cyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[cyclopropanecarbonyl(methyl)amino]cyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
PubChem CID167108688
Molecular FormulaC26H29N7O3
Molecular Weight487.56 g/mol
Exact Mass487.23
IUPAC Name2-[4-[cyclopropanecarbonyl(methyl)amino]cyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(N(C)C(=O)C4CC4)CC3)cc2cc1C(=O)Nc1cnn2cccnc12
InChIInChI=1S/C26H29N7O3/c1-31(26(35)16-4-5-16)18-6-8-19(9-7-18)33-15-17-12-20(23(36-2)13-21(17)30-33)25(34)29-22-14-28-32-11-3-10-27-24(22)32/h3,10-16,18-19H,4-9H2,1-2H3,(H,29,34)
InChIKeyPREIVRWVLYLXTE-UHFFFAOYSA-N
XLogP3.69
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclopropanecarbonyl(methyl)amino]cyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide?
The IUPAC name of 2-[4-[cyclopropanecarbonyl(methyl)amino]cyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide (CID 167108688) is 2-[4-[cyclopropanecarbonyl(methyl)amino]cyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide.
What is the SMILES notation for 2-[4-[cyclopropanecarbonyl(methyl)amino]cyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide?
The canonical SMILES for 2-[4-[cyclopropanecarbonyl(methyl)amino]cyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide is COc1cc2nn(C3CCC(N(C)C(=O)C4CC4)CC3)cc2cc1C(=O)Nc1cnn2cccnc12.
What is the InChIKey of 2-[4-[cyclopropanecarbonyl(methyl)amino]cyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide?
The InChIKey is PREIVRWVLYLXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3/c1-31(26(35)16-4-5-16)18-6-8-19(9-7-18)33-15-17-12-20(23(36-2)13-21(17)30-33)25(34)29-22-14-28-32-11-3-10-27-24(22)32/h3,10-16,18-19H,4-9H2,1-2H3,(H,29,34).
What are the key properties of 2-[4-[cyclopropanecarbonyl(methyl)amino]cyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide?
2-[4-[cyclopropanecarbonyl(methyl)amino]cyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclopropanecarbonyl(methyl)amino]cyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide is sourced from PubChem (CID 167108688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).