1-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methylamino]-N-(2,3-dihydro-1H-inden-2-ylmethyl)cyclohexane-1-carboxamide

C28H35N7O — CID 169002607

IUPAC1-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methylamino]-N-(2,3-dihydro-1H-inden-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1Cc2ccccc2C1)C1(NCc2nccc(Nc3cc(C4CC4)[nH]n3)n2)CCCCC1
InChIInChI=1S/C28H35N7O/c36-27(30-17-19-14-21-6-2-3-7-22(21)15-19)28(11-4-1-5-12-28)31-18-26-29-13-10-24(33-26)32-25-16-23(34-35-25)20-8-9-20/h2-3,6-7,10,13,16,19-20,31H,1,4-5,8-9,11-12,14-15,17-18H2,(H,30,36)(H2,29,32,33,34,35)
InChIKeyVFVSVOUKKHWQDT-UHFFFAOYSA-N
MW485.64 g/mol
LogP4.14
Rot. Bonds9

About 1-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methylamino]-N-(2,3-dihydro-1H-inden-2-ylmethyl)cyclohexane-1-carboxamide

1-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methylamino]-N-(2,3-dihydro-1H-inden-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 169002607) has the molecular formula C28H35N7O and a molecular weight of 485.64 g/mol. Its IUPAC name is 1-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methylamino]-N-(2,3-dihydro-1H-inden-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methylamino]-N-(2,3-dihydro-1H-inden-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID169002607
Molecular FormulaC28H35N7O
Molecular Weight485.64 g/mol
Exact Mass485.29
IUPAC Name1-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methylamino]-N-(2,3-dihydro-1H-inden-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1Cc2ccccc2C1)C1(NCc2nccc(Nc3cc(C4CC4)[nH]n3)n2)CCCCC1
InChIInChI=1S/C28H35N7O/c36-27(30-17-19-14-21-6-2-3-7-22(21)15-19)28(11-4-1-5-12-28)31-18-26-29-13-10-24(33-26)32-25-16-23(34-35-25)20-8-9-20/h2-3,6-7,10,13,16,19-20,31H,1,4-5,8-9,11-12,14-15,17-18H2,(H,30,36)(H2,29,32,33,34,35)
InChIKeyVFVSVOUKKHWQDT-UHFFFAOYSA-N
XLogP4.14
TPSA107.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.64
LogP ≤ 54.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methylamino]-N-(2,3-dihydro-1H-inden-2-ylmethyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

1-(5-cyano-2,3-dihydro-1H-inden-2-yl)-3-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methylamino]cyclohexyl]urea
CID 162490722
N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methylamino]cyclohexyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 169002608
3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]prop-2-ene-1-sulfinate
CID 77491619
1-(5-cyano-2,3-dihydro-1H-inden-2-yl)-3-[4-[[4-[[5-(3,3-difluorocyclobutyl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]methylamino]cyclohexyl]urea
CID 162490832
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine;ethane;methylcyclohexane
CID 154687415
3-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanoyl-methylazanium
CID 143702294
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxypyrimidin-4-amine
CID 20604204
(E)-3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]prop-2-ene-1-sulfonamide
CID 58169227
phenyl N-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]carbamate
CID 154687395
1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(4-methyloxan-4-yl)propan-2-one
CID 163732027
3-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-piperidin-1-ylethyl)propanamide
CID 11612585
tert-butyl N-[[(3S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4-fluoropyrrolidin-3-yl]methyl]carbamate
CID 169170336

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methylamino]-N-(2,3-dihydro-1H-inden-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methylamino]-N-(2,3-dihydro-1H-inden-2-ylmethyl)cyclohexane-1-carboxamide (CID 169002607) is 1-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methylamino]-N-(2,3-dihydro-1H-inden-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methylamino]-N-(2,3-dihydro-1H-inden-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methylamino]-N-(2,3-dihydro-1H-inden-2-ylmethyl)cyclohexane-1-carboxamide is O=C(NCC1Cc2ccccc2C1)C1(NCc2nccc(Nc3cc(C4CC4)[nH]n3)n2)CCCCC1.
What is the InChIKey of 1-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methylamino]-N-(2,3-dihydro-1H-inden-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is VFVSVOUKKHWQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O/c36-27(30-17-19-14-21-6-2-3-7-22(21)15-19)28(11-4-1-5-12-28)31-18-26-29-13-10-24(33-26)32-25-16-23(34-35-25)20-8-9-20/h2-3,6-7,10,13,16,19-20,31H,1,4-5,8-9,11-12,14-15,17-18H2,(H,30,36)(H2,29,32,33,34,35).
What are the key properties of 1-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methylamino]-N-(2,3-dihydro-1H-inden-2-ylmethyl)cyclohexane-1-carboxamide?
1-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methylamino]-N-(2,3-dihydro-1H-inden-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 485.64 g/mol, XLogP of 4.14, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methylamino]-N-(2,3-dihydro-1H-inden-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 169002607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).