(2R)-N,N,2-trimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide

C27H35N9O4S — CID 177202770

IUPAC(2R)-N,N,2-trimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2cc(S(=O)(=O)NC3(C)CC3)cc3c(=O)n(Cc4cnn(C)c4)c4ccnn4c23)CCN1C(=O)N(C)C
InChIInChI=1S/C27H35N9O4S/c1-18-15-33(10-11-34(18)26(38)31(3)4)22-13-20(41(39,40)30-27(2)7-8-27)12-21-24(22)36-23(6-9-28-36)35(25(21)37)17-19-14-29-32(5)16-19/h6,9,12-14,16,18,30H,7-8,10-11,15,17H2,1-5H3/t18-/m1/s1
InChIKeyGMLAEZQHCSYYBP-GOSISDBHSA-N
MW581.70 g/mol
LogP1.45
Rot. Bonds6

About (2R)-N,N,2-trimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide

(2R)-N,N,2-trimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide (PubChem CID 177202770) has the molecular formula C27H35N9O4S and a molecular weight of 581.70 g/mol. Its IUPAC name is (2R)-N,N,2-trimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N,N,2-trimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide
PubChem CID177202770
Molecular FormulaC27H35N9O4S
Molecular Weight581.70 g/mol
Exact Mass581.25
IUPAC Name(2R)-N,N,2-trimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2cc(S(=O)(=O)NC3(C)CC3)cc3c(=O)n(Cc4cnn(C)c4)c4ccnn4c23)CCN1C(=O)N(C)C
InChIInChI=1S/C27H35N9O4S/c1-18-15-33(10-11-34(18)26(38)31(3)4)22-13-20(41(39,40)30-27(2)7-8-27)12-21-24(22)36-23(6-9-28-36)35(25(21)37)17-19-14-29-32(5)16-19/h6,9,12-14,16,18,30H,7-8,10-11,15,17H2,1-5H3/t18-/m1/s1
InChIKeyGMLAEZQHCSYYBP-GOSISDBHSA-N
XLogP1.45
TPSA130.08 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.70
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (2R)-N,N,2-trimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide with MolForge

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Related Compounds

9-bromo-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazoline-7-sulfonamide
CID 177202782
2-(methoxyamino)-N-(1-methylcyclopropyl)-8-[(3R)-3-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-3-[(1-methylpyrazol-4-yl)methyl]-4-oxoquinazoline-6-sulfonamide
CID 170692451
2-(methoxyamino)-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-8-[(3R)-3-methyl-4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-4-oxoquinazoline-6-sulfonamide
CID 176890486
2-(methoxyamino)-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-8-[(3R)-3-methyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-4-oxoquinazoline-6-sulfonamide
CID 176890490
N,N-dimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-5-oxo-4H-pyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide
CID 177202774
N,N-dimethyl-4-[(1R)-1-methyl-7-[(1-methylcyclopropyl)sulfamoyl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazolin-9-yl]piperazine-1-carboxamide
CID 170353416
N-(1-methylcyclopropyl)-1,3-bis[(1-methylpyrazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398333
N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-1-(2-morpholin-4-ylethyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398400
1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-[(1-propan-2-ylpyrazol-4-yl)methyl]quinazoline-6-sulfonamide
CID 121398316
(2R)-4-[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-[(1-isocyanocyclopropyl)sulfamoyl]-1-methylindazol-7-yl]-N,N,2-trimethylpiperazine-1-carboxamide
CID 169045072
(1R,2S)-1,2-dimethyl-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
CID 170353796
3-[dideuterio-(1-methylpyrazol-4-yl)methyl]-2-[[(2S)-2-hydroxypropyl]amino]-N-(1-methylcyclopropyl)-4-oxoquinazoline-6-sulfonamide
CID 170522999

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N,2-trimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide?
The IUPAC name of (2R)-N,N,2-trimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide (CID 177202770) is (2R)-N,N,2-trimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide.
What is the SMILES notation for (2R)-N,N,2-trimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide?
The canonical SMILES for (2R)-N,N,2-trimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide is C[C@@H]1CN(c2cc(S(=O)(=O)NC3(C)CC3)cc3c(=O)n(Cc4cnn(C)c4)c4ccnn4c23)CCN1C(=O)N(C)C.
What is the InChIKey of (2R)-N,N,2-trimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide?
The InChIKey is GMLAEZQHCSYYBP-GOSISDBHSA-N. The full InChI is InChI=1S/C27H35N9O4S/c1-18-15-33(10-11-34(18)26(38)31(3)4)22-13-20(41(39,40)30-27(2)7-8-27)12-21-24(22)36-23(6-9-28-36)35(25(21)37)17-19-14-29-32(5)16-19/h6,9,12-14,16,18,30H,7-8,10-11,15,17H2,1-5H3/t18-/m1/s1.
What are the key properties of (2R)-N,N,2-trimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide?
(2R)-N,N,2-trimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide has a molecular weight of 581.70 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N,2-trimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-4-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide is sourced from PubChem (CID 177202770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).