5-[[1-(6-cyclopropylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H22FN9O2 — CID 137457952

IUPAC5-[[1-(6-cyclopropylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccc(C4CC4)nn3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C23H22FN9O2/c1-25-20-10-18(29-21-13(11-26-33(20)21)22(34)28-17-9-14(17)24)27-16-3-2-8-32(23(16)35)19-7-6-15(30-31-19)12-4-5-12/h2-3,6-8,10-12,14,17,25H,4-5,9H2,1H3,(H,27,29)(H,28,34)/t14-,17+/m1/s1
InChIKeyGEHMGVNTABZBPL-PBHICJAKSA-N
MW475.49 g/mol
LogP2.17
Rot. Bonds7

About 5-[[1-(6-cyclopropylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[1-(6-cyclopropylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137457952) has the molecular formula C23H22FN9O2 and a molecular weight of 475.49 g/mol. Its IUPAC name is 5-[[1-(6-cyclopropylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[1-(6-cyclopropylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137457952
Molecular FormulaC23H22FN9O2
Molecular Weight475.49 g/mol
Exact Mass475.19
IUPAC Name5-[[1-(6-cyclopropylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccc(C4CC4)nn3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C23H22FN9O2/c1-25-20-10-18(29-21-13(11-26-33(20)21)22(34)28-17-9-14(17)24)27-16-3-2-8-32(23(16)35)19-7-6-15(30-31-19)12-4-5-12/h2-3,6-8,10-12,14,17,25H,4-5,9H2,1H3,(H,27,29)(H,28,34)/t14-,17+/m1/s1
InChIKeyGEHMGVNTABZBPL-PBHICJAKSA-N
XLogP2.17
TPSA131.13 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.49
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(6-cyclopropylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[1-(6-cyclopropylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137457952) is 5-[[1-(6-cyclopropylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[1-(6-cyclopropylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[1-(6-cyclopropylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3ccc(C4CC4)nn3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of 5-[[1-(6-cyclopropylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GEHMGVNTABZBPL-PBHICJAKSA-N. The full InChI is InChI=1S/C23H22FN9O2/c1-25-20-10-18(29-21-13(11-26-33(20)21)22(34)28-17-9-14(17)24)27-16-3-2-8-32(23(16)35)19-7-6-15(30-31-19)12-4-5-12/h2-3,6-8,10-12,14,17,25H,4-5,9H2,1H3,(H,27,29)(H,28,34)/t14-,17+/m1/s1.
What are the key properties of 5-[[1-(6-cyclopropylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-(6-cyclopropylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 475.49 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(6-cyclopropylpyridazin-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137457952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).