(2S)-1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide

C26H39N7O — CID 118915769

IUPAC(2S)-1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN1c1nc2c(c(Nc3cc(C4CCCCC4)[nH]n3)n1)CCCC2
InChIInChI=1S/C26H39N7O/c1-3-32(4-2)25(34)22-15-10-16-33(22)26-27-20-14-9-8-13-19(20)24(29-26)28-23-17-21(30-31-23)18-11-6-5-7-12-18/h17-18,22H,3-16H2,1-2H3,(H2,27,28,29,30,31)/t22-/m0/s1
InChIKeyQVVNRORPIBPHRF-QFIPXVFZSA-N
MW465.65 g/mol
LogP4.71
Rot. Bonds7

About (2S)-1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide

(2S)-1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide (PubChem CID 118915769) has the molecular formula C26H39N7O and a molecular weight of 465.65 g/mol. Its IUPAC name is (2S)-1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide
PubChem CID118915769
Molecular FormulaC26H39N7O
Molecular Weight465.65 g/mol
Exact Mass465.32
IUPAC Name(2S)-1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN1c1nc2c(c(Nc3cc(C4CCCCC4)[nH]n3)n1)CCCC2
InChIInChI=1S/C26H39N7O/c1-3-32(4-2)25(34)22-15-10-16-33(22)26-27-20-14-9-8-13-19(20)24(29-26)28-23-17-21(30-31-23)18-11-6-5-7-12-18/h17-18,22H,3-16H2,1-2H3,(H2,27,28,29,30,31)/t22-/m0/s1
InChIKeyQVVNRORPIBPHRF-QFIPXVFZSA-N
XLogP4.71
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.65
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2R)-1-[4-[[5-(3-bicyclo[3.1.0]hexanyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide
CID 129114964
1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 90259016
[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 90259172
(2R)-N,N-diethyl-1-[4-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 90258957
1-[4-[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one
CID 118627799
1-[4-[(2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one
CID 118627777
N,N-dimethyl-1-[4-[[5-(oxan-4-yl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 118640187
[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 118915885
(2S)-1-[4-[[5-(3,3-dimethylcyclopentyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 129114731
(2R)-1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
CID 129114448
1-[1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-oxazol-2-yl)ethanone
CID 162160848
[(2R)-1-[4-[[5-(oxan-4-yl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 129114217

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide (CID 118915769) is (2S)-1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1CCCN1c1nc2c(c(Nc3cc(C4CCCCC4)[nH]n3)n1)CCCC2.
What is the InChIKey of (2S)-1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide?
The InChIKey is QVVNRORPIBPHRF-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H39N7O/c1-3-32(4-2)25(34)22-15-10-16-33(22)26-27-20-14-9-8-13-19(20)24(29-26)28-23-17-21(30-31-23)18-11-6-5-7-12-18/h17-18,22H,3-16H2,1-2H3,(H2,27,28,29,30,31)/t22-/m0/s1.
What are the key properties of (2S)-1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide?
(2S)-1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide has a molecular weight of 465.65 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 118915769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).