tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(5-phenyl-2-pyridinyl)methyl]carbamate

C26H26ClN5O2 — CID 166529477

IUPACtert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(5-phenyl-2-pyridinyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccc(-c2ccccc2)cn1)c1cc(Cl)nc2c(C3CC3)cnn12
InChIInChI=1S/C26H26ClN5O2/c1-26(2,3)34-25(33)31(16-20-12-11-19(14-28-20)17-7-5-4-6-8-17)23-13-22(27)30-24-21(18-9-10-18)15-29-32(23)24/h4-8,11-15,18H,9-10,16H2,1-3H3
InChIKeyVKYUANHGQOUIBK-UHFFFAOYSA-N
MW475.98 g/mol
LogP6.26
Rot. Bonds5

About tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(5-phenyl-2-pyridinyl)methyl]carbamate

tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(5-phenyl-2-pyridinyl)methyl]carbamate (PubChem CID 166529477) has the molecular formula C26H26ClN5O2 and a molecular weight of 475.98 g/mol. Its IUPAC name is tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(5-phenyl-2-pyridinyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(5-phenyl-2-pyridinyl)methyl]carbamate
PubChem CID166529477
Molecular FormulaC26H26ClN5O2
Molecular Weight475.98 g/mol
Exact Mass475.18
IUPAC Nametert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(5-phenyl-2-pyridinyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccc(-c2ccccc2)cn1)c1cc(Cl)nc2c(C3CC3)cnn12
InChIInChI=1S/C26H26ClN5O2/c1-26(2,3)34-25(33)31(16-20-12-11-19(14-28-20)17-7-5-4-6-8-17)23-13-22(27)30-24-21(18-9-10-18)15-29-32(23)24/h4-8,11-15,18H,9-10,16H2,1-3H3
InChIKeyVKYUANHGQOUIBK-UHFFFAOYSA-N
XLogP6.26
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.98
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 166529619
tert-butyl (3R,4R)-4-[[[3-cyclopropyl-7-[(2-methylpropan-2-yl)oxycarbonyl-[(5-phenyl-2-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]-3-hydroxypiperidine-1-carboxylate
CID 166529575
(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3-chlorophenyl)methyl]carbamic acid
CID 155104368
tert-butyl 4-[[3-cyclopropyl-7-[(2-methylpropan-2-yl)oxycarbonyl-[(4-pyridin-2-ylphenyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]piperidine-1-carboxylate
CID 166529634
tert-butyl (3R)-3-[3-cyclopropyl-7-[(2-methylpropan-2-yl)oxycarbonyl-[(4-pyridin-2-ylphenyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidine-1-carboxylate
CID 166529572
tert-butyl N-[3-cyclopropyl-5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)carbamate
CID 155693808
tert-butyl (3R,4R)-4-[[[3-cyclopropyl-7-[(2-methylpropan-2-yl)oxycarbonyl-[(1-methyl-4-pyridin-2-ylimidazol-2-yl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]-3-hydroxypiperidine-1-carboxylate
CID 166529555
1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]-2-[(2R)-2-hydroxycyclobutyl]ethanone;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 159170783
3-[[3-cyclopropyl-7-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylic acid
CID 155104322
tert-butyl N-[5-chloro-3-[(E)-(2,5-dioxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(cyclopropylmethyl)carbamate
CID 58196515
3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylic acid
CID 135376730
tert-butyl N-[5-chloro-3-[[(1R)-2-methylcyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 163747151

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(5-phenyl-2-pyridinyl)methyl]carbamate?
The IUPAC name of tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(5-phenyl-2-pyridinyl)methyl]carbamate (CID 166529477) is tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(5-phenyl-2-pyridinyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(5-phenyl-2-pyridinyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(5-phenyl-2-pyridinyl)methyl]carbamate is CC(C)(C)OC(=O)N(Cc1ccc(-c2ccccc2)cn1)c1cc(Cl)nc2c(C3CC3)cnn12.
What is the InChIKey of tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(5-phenyl-2-pyridinyl)methyl]carbamate?
The InChIKey is VKYUANHGQOUIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O2/c1-26(2,3)34-25(33)31(16-20-12-11-19(14-28-20)17-7-5-4-6-8-17)23-13-22(27)30-24-21(18-9-10-18)15-29-32(23)24/h4-8,11-15,18H,9-10,16H2,1-3H3.
What are the key properties of tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(5-phenyl-2-pyridinyl)methyl]carbamate?
tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(5-phenyl-2-pyridinyl)methyl]carbamate has a molecular weight of 475.98 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(5-phenyl-2-pyridinyl)methyl]carbamate is sourced from PubChem (CID 166529477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).