N-[4-[[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide

C28H35N7O — CID 170169850

IUPACN-[4-[[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESCN(c1nccc(Nc2cc(C3CC3)n(C)n2)n1)C1CCC(NC(=O)C2Cc3ccccc3C2)CC1
InChIInChI=1S/C28H35N7O/c1-34(28-29-14-13-25(32-28)31-26-17-24(18-7-8-18)35(2)33-26)23-11-9-22(10-12-23)30-27(36)21-15-19-5-3-4-6-20(19)16-21/h3-6,13-14,17-18,21-23H,7-12,15-16H2,1-2H3,(H,30,36)(H,29,31,32,33)
InChIKeyPJXXYGOWIQICSN-UHFFFAOYSA-N
MW485.64 g/mol
LogP4.11
Rot. Bonds7

About N-[4-[[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide

N-[4-[[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 170169850) has the molecular formula C28H35N7O and a molecular weight of 485.64 g/mol. Its IUPAC name is N-[4-[[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID170169850
Molecular FormulaC28H35N7O
Molecular Weight485.64 g/mol
Exact Mass485.29
IUPAC NameN-[4-[[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESCN(c1nccc(Nc2cc(C3CC3)n(C)n2)n1)C1CCC(NC(=O)C2Cc3ccccc3C2)CC1
InChIInChI=1S/C28H35N7O/c1-34(28-29-14-13-25(32-28)31-26-17-24(18-7-8-18)35(2)33-26)23-11-9-22(10-12-23)30-27(36)21-15-19-5-3-4-6-20(19)16-21/h3-6,13-14,17-18,21-23H,7-12,15-16H2,1-2H3,(H,30,36)(H,29,31,32,33)
InChIKeyPJXXYGOWIQICSN-UHFFFAOYSA-N
XLogP4.11
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.64
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[4-[[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide (CID 170169850) is N-[4-[[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[4-[[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[4-[[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide is CN(c1nccc(Nc2cc(C3CC3)n(C)n2)n1)C1CCC(NC(=O)C2Cc3ccccc3C2)CC1.
What is the InChIKey of N-[4-[[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is PJXXYGOWIQICSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O/c1-34(28-29-14-13-25(32-28)31-26-17-24(18-7-8-18)35(2)33-26)23-11-9-22(10-12-23)30-27(36)21-15-19-5-3-4-6-20(19)16-21/h3-6,13-14,17-18,21-23H,7-12,15-16H2,1-2H3,(H,30,36)(H,29,31,32,33).
What are the key properties of N-[4-[[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide?
N-[4-[[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 485.64 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 170169850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).