N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H22FN7O3 — CID 137449143

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(CCOC)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C19H22FN7O3/c1-21-16-9-15(23-13-4-3-5-26(19(13)29)6-7-30-2)25-17-11(10-22-27(16)17)18(28)24-14-8-12(14)20/h3-5,9-10,12,14,21H,6-8H2,1-2H3,(H,23,25)(H,24,28)/t12-,14+/m1/s1
InChIKeyVLUYVAVRRXSHAR-OCCSQVGLSA-N
MW415.43 g/mol
LogP1.16
Rot. Bonds8

About N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449143) has the molecular formula C19H22FN7O3 and a molecular weight of 415.43 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449143
Molecular FormulaC19H22FN7O3
Molecular Weight415.43 g/mol
Exact Mass415.18
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(CCOC)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C19H22FN7O3/c1-21-16-9-15(23-13-4-3-5-26(19(13)29)6-7-30-2)25-17-11(10-22-27(16)17)18(28)24-14-8-12(14)20/h3-5,9-10,12,14,21H,6-8H2,1-2H3,(H,23,25)(H,24,28)/t12-,14+/m1/s1
InChIKeyVLUYVAVRRXSHAR-OCCSQVGLSA-N
XLogP1.16
TPSA114.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449143) is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(CCOC)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VLUYVAVRRXSHAR-OCCSQVGLSA-N. The full InChI is InChI=1S/C19H22FN7O3/c1-21-16-9-15(23-13-4-3-5-26(19(13)29)6-7-30-2)25-17-11(10-22-27(16)17)18(28)24-14-8-12(14)20/h3-5,9-10,12,14,21H,6-8H2,1-2H3,(H,23,25)(H,24,28)/t12-,14+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 415.43 g/mol, XLogP of 1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(2-methoxyethyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).