tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

C26H30F2N6O4 — CID 161418063

IUPACtert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)CC3CC(F)(F)C3)cnn12
InChIInChI=1S/C26H30F2N6O4/c1-25(2,3)38-24(36)33(4)21-11-20(31-18-6-5-9-29-23(18)37-16-7-8-16)32-22-17(14-30-34(21)22)19(35)10-15-12-26(27,28)13-15/h5-6,9,11,14-16H,7-8,10,12-13H2,1-4H3,(H,31,32)
InChIKeyQIDUTDIPIKXHTI-UHFFFAOYSA-N
MW528.56 g/mol
LogP5.40
Rot. Bonds8

About tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (PubChem CID 161418063) has the molecular formula C26H30F2N6O4 and a molecular weight of 528.56 g/mol. Its IUPAC name is tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
PubChem CID161418063
Molecular FormulaC26H30F2N6O4
Molecular Weight528.56 g/mol
Exact Mass528.23
IUPAC Nametert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)CC3CC(F)(F)C3)cnn12
InChIInChI=1S/C26H30F2N6O4/c1-25(2,3)38-24(36)33(4)21-11-20(31-18-6-5-9-29-23(18)37-16-7-8-16)32-22-17(14-30-34(21)22)19(35)10-15-12-26(27,28)13-15/h5-6,9,11,14-16H,7-8,10,12-13H2,1-4H3,(H,31,32)
InChIKeyQIDUTDIPIKXHTI-UHFFFAOYSA-N
XLogP5.40
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.56
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate with MolForge

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Related Compounds

N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449661
(16R)-10-fluoro-16-methyl-14-oxa-2,12,17,21,22,25-hexazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaen-18-one
CID 139553400
5-[(2-cyclopropyloxypyridin-3-yl)amino]-N-(3,3-difluorocyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441508
N-(3,3-difluorocyclobutyl)-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441585
N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449132
5-[(2-cyclobutyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449140
N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(4-hydroxycyclohexyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449161
5-[[2-(1,3-dihydroxypropan-2-yloxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449319
N-cyclopropyl-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449321
N-[(1S,2R)-2-fluorocyclopropyl]-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449328
N-cyclobutyl-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449336
N-cyclobutyl-5-[[5-fluoro-2-(2-methoxyethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449348

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (CID 161418063) is tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)CC3CC(F)(F)C3)cnn12.
What is the InChIKey of tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The InChIKey is QIDUTDIPIKXHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N6O4/c1-25(2,3)38-24(36)33(4)21-11-20(31-18-6-5-9-29-23(18)37-16-7-8-16)32-22-17(14-30-34(21)22)19(35)10-15-12-26(27,28)13-15/h5-6,9,11,14-16H,7-8,10,12-13H2,1-4H3,(H,31,32).
What are the key properties of tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate has a molecular weight of 528.56 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is sourced from PubChem (CID 161418063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).