8-amino-N-[4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide

C34H48N8O3S — CID 146501408

IUPAC8-amino-N-[4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCC1(OCc2csc(NC(=O)c3nn(C4CCCCO4)c4c3C(C)(C)Cc3cnc(N)nc3-4)n2)CCN(C2CCCCCC2)CC1
InChIInChI=1S/C34H48N8O3S/c1-33(2)18-22-19-36-31(35)38-27(22)29-26(33)28(40-42(29)25-12-8-9-17-44-25)30(43)39-32-37-23(21-46-32)20-45-34(3)13-15-41(16-14-34)24-10-6-4-5-7-11-24/h19,21,24-25H,4-18,20H2,1-3H3,(H2,35,36,38)(H,37,39,43)
InChIKeyTUBQMEOHFCYWKR-UHFFFAOYSA-N
MW648.88 g/mol
LogP6.26
Rot. Bonds7

About 8-amino-N-[4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide

8-amino-N-[4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 146501408) has the molecular formula C34H48N8O3S and a molecular weight of 648.88 g/mol. Its IUPAC name is 8-amino-N-[4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-amino-N-[4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID146501408
Molecular FormulaC34H48N8O3S
Molecular Weight648.88 g/mol
Exact Mass648.36
IUPAC Name8-amino-N-[4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCC1(OCc2csc(NC(=O)c3nn(C4CCCCO4)c4c3C(C)(C)Cc3cnc(N)nc3-4)n2)CCN(C2CCCCCC2)CC1
InChIInChI=1S/C34H48N8O3S/c1-33(2)18-22-19-36-31(35)38-27(22)29-26(33)28(40-42(29)25-12-8-9-17-44-25)30(43)39-32-37-23(21-46-32)20-45-34(3)13-15-41(16-14-34)24-10-6-4-5-7-11-24/h19,21,24-25H,4-18,20H2,1-3H3,(H2,35,36,38)(H,37,39,43)
InChIKeyTUBQMEOHFCYWKR-UHFFFAOYSA-N
XLogP6.26
TPSA133.31 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500648.88
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 8-amino-N-[4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide with MolForge

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Related Compounds

8-amino-N-[4-[[1-(4,4-dimethylcyclohexyl)piperidin-4-yl]oxymethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide
CID 146501446
8-amino-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide
CID 167439294
8-amino-4,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(oxan-2-yloxy)ethyl]-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide
CID 137415295
8-amino-4,4-dimethyl-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide
CID 137415286
8-amino-N-[4-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide
CID 146501422
1-cyclopentyl-N-[4-(ethoxymethyl)-1,3-thiazol-2-yl]pyrrole-2-carboxamide
CID 166373648
ethyl 2-[2-(oxan-2-yloxycarbamoylamino)-1,3-thiazol-4-yl]acetate
CID 154753101
2-[1-[2-[2-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]-1,3-thiazol-4-yl]acetyl]piperidin-4-yl]-N-tert-butylacetamide
CID 159254217
2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 62212778
2-acetamido-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide
CID 94824310
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547931
(2-acetamido-1,3-thiazol-4-yl)methyl 1-hydroxycyclopentane-1-carboxylate
CID 55701341

Frequently Asked Questions

What is the IUPAC name of 8-amino-N-[4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-amino-N-[4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide (CID 146501408) is 8-amino-N-[4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-amino-N-[4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-amino-N-[4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide is CC1(OCc2csc(NC(=O)c3nn(C4CCCCO4)c4c3C(C)(C)Cc3cnc(N)nc3-4)n2)CCN(C2CCCCCC2)CC1.
What is the InChIKey of 8-amino-N-[4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is TUBQMEOHFCYWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48N8O3S/c1-33(2)18-22-19-36-31(35)38-27(22)29-26(33)28(40-42(29)25-12-8-9-17-44-25)30(43)39-32-37-23(21-46-32)20-45-34(3)13-15-41(16-14-34)24-10-6-4-5-7-11-24/h19,21,24-25H,4-18,20H2,1-3H3,(H2,35,36,38)(H,37,39,43).
What are the key properties of 8-amino-N-[4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide?
8-amino-N-[4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 648.88 g/mol, XLogP of 6.26, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-[4-[(1-cycloheptyl-4-methylpiperidin-4-yl)oxymethyl]-1,3-thiazol-2-yl]-4,4-dimethyl-1-(oxan-2-yl)-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 146501408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).