tert-butyl 4-[3-carbamoyl-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate

C30H41N5O6 — CID 146623159

IUPACtert-butyl 4-[3-carbamoyl-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
SMILESCOc1cc(-c2nn3c(c2C(N)=O)NCCC3C2CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1C1=CCOCC1
InChIInChI=1S/C30H41N5O6/c1-30(2,3)41-29(37)34-12-7-18(8-13-34)21-6-11-32-28-25(27(31)36)26(33-35(21)28)20-16-22(38-4)24(23(17-20)39-5)19-9-14-40-15-10-19/h9,16-18,21,32H,6-8,10-15H2,1-5H3,(H2,31,36)
InChIKeyQJPPUEJCPHJMJE-UHFFFAOYSA-N
MW567.69 g/mol
LogP4.47
Rot. Bonds6

About tert-butyl 4-[3-carbamoyl-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate

tert-butyl 4-[3-carbamoyl-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate (PubChem CID 146623159) has the molecular formula C30H41N5O6 and a molecular weight of 567.69 g/mol. Its IUPAC name is tert-butyl 4-[3-carbamoyl-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-carbamoyl-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
PubChem CID146623159
Molecular FormulaC30H41N5O6
Molecular Weight567.69 g/mol
Exact Mass567.31
IUPAC Nametert-butyl 4-[3-carbamoyl-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
SMILESCOc1cc(-c2nn3c(c2C(N)=O)NCCC3C2CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1C1=CCOCC1
InChIInChI=1S/C30H41N5O6/c1-30(2,3)41-29(37)34-12-7-18(8-13-34)21-6-11-32-28-25(27(31)36)26(33-35(21)28)20-16-22(38-4)24(23(17-20)39-5)19-9-14-40-15-10-19/h9,16-18,21,32H,6-8,10-15H2,1-5H3,(H2,31,36)
InChIKeyQJPPUEJCPHJMJE-UHFFFAOYSA-N
XLogP4.47
TPSA130.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.69
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-[3-carbamoyl-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

(7R)-2-(3,5-dimethoxy-4-methylphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146623167
7-(1-acetylpiperidin-4-yl)-2-(3-methoxy-4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146654375
2-[3,5-dimethoxy-4-(2-methylpropyl)phenyl]-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146654386
2-(4-methoxy-1-methylindol-6-yl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171343602
2-(3-methoxy-4-phenoxyphenyl)-7-(1-prop-2-enoylazetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136970125
2-(4-fluoro-3-methoxyphenyl)-7-(2-iminocyclohex-3-en-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137150587
2-(4-cyclopropyl-3-methoxy-5-methylphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[4-cyclopropyl-3-methoxy-5-(trideuteriomethoxy)phenyl]-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[1-[(Z)-2,3-dideuteriobut-2-enoyl]piperidin-4-yl]-2-(3,5-dimethoxy-4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-ethyl-5-methoxy-4-methylphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164956557
(7S)-7-[1-[2-[2-(2-aminoethoxy)ethoxy]acetyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163211370
tert-butyl 4-[3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 66889503
(7S)-7-[1-[2-[2-(2-aminoethoxy)ethoxy]acetyl]piperidin-4-yl]-2-[2-(4-phenoxyphenyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 175215695
tert-butyl 4-[3-carbamoyl-5-(2-fluoro-4-pyridinyl)indazol-1-yl]piperidine-1-carboxylate
CID 175283411
2-(3,5-dimethoxy-4-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171355037

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-carbamoyl-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-carbamoyl-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate (CID 146623159) is tert-butyl 4-[3-carbamoyl-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-carbamoyl-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-carbamoyl-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate is COc1cc(-c2nn3c(c2C(N)=O)NCCC3C2CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1C1=CCOCC1.
What is the InChIKey of tert-butyl 4-[3-carbamoyl-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?
The InChIKey is QJPPUEJCPHJMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O6/c1-30(2,3)41-29(37)34-12-7-18(8-13-34)21-6-11-32-28-25(27(31)36)26(33-35(21)28)20-16-22(38-4)24(23(17-20)39-5)19-9-14-40-15-10-19/h9,16-18,21,32H,6-8,10-15H2,1-5H3,(H2,31,36).
What are the key properties of tert-butyl 4-[3-carbamoyl-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-carbamoyl-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate has a molecular weight of 567.69 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-carbamoyl-2-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate is sourced from PubChem (CID 146623159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).