methyl 2-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzoate

C19H20N6O3 — CID 154678689

IUPACmethyl 2-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzoate
SMILESCNc1cc(Nc2ccccc2C(=O)OC)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C19H20N6O3/c1-20-16-9-15(23-14-6-4-3-5-12(14)19(27)28-2)24-17-13(10-21-25(16)17)18(26)22-11-7-8-11/h3-6,9-11,20H,7-8H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyXFSYJYXMYOCZGX-UHFFFAOYSA-N
MW380.41 g/mol
LogP2.19
Rot. Bonds6

About methyl 2-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzoate

methyl 2-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzoate (PubChem CID 154678689) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is methyl 2-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzoate
PubChem CID154678689
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Namemethyl 2-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzoate
SMILESCNc1cc(Nc2ccccc2C(=O)OC)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C19H20N6O3/c1-20-16-9-15(23-14-6-4-3-5-12(14)19(27)28-2)24-17-13(10-21-25(16)17)18(26)22-11-7-8-11/h3-6,9-11,20H,7-8H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyXFSYJYXMYOCZGX-UHFFFAOYSA-N
XLogP2.19
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzoate with MolForge

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Related Compounds

N-cyclopropyl-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449164
N-cyclopropyl-7-(methylamino)-5-[[4-(methylcarbamoyl)thiophen-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154678708
N-[(1S,3S)-3-hydroxycyclopentyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383309
CID 142523922
CID 142523922
4-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide
CID 137449963
N-cyclopropyl-7-(methylamino)-5-[(2-oxo-1-pyridin-3-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450224
N-cyclopropyl-7-(methylamino)-5-[(5-methyl-2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137457779
N-cyclopropyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154678692
N-cyclopropyl-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449487
N-[(1S,2S)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449157
5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(3-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441403
N-cyclopropyl-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142523504

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzoate?
The IUPAC name of methyl 2-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzoate (CID 154678689) is methyl 2-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzoate is CNc1cc(Nc2ccccc2C(=O)OC)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of methyl 2-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzoate?
The InChIKey is XFSYJYXMYOCZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-20-16-9-15(23-14-6-4-3-5-12(14)19(27)28-2)24-17-13(10-21-25(16)17)18(26)22-11-7-8-11/h3-6,9-11,20H,7-8H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of methyl 2-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzoate?
methyl 2-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzoate has a molecular weight of 380.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzoate is sourced from PubChem (CID 154678689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).