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

C22H20F2N8O3 — CID 137449199

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ncc(OC)cc3F)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C22H20F2N8O3/c1-25-18-8-17(30-19-12(10-27-32(18)19)21(33)29-16-7-13(16)23)28-15-4-3-5-31(22(15)34)20-14(24)6-11(35-2)9-26-20/h3-6,8-10,13,16,25H,7H2,1-2H3,(H,28,30)(H,29,33)/t13-,16+/m1/s1
InChIKeyLHPAOHPGJAVEMO-CJNGLKHVSA-N
MW482.45 g/mol
LogP2.05
Rot. Bonds7

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

N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449199) has the molecular formula C22H20F2N8O3 and a molecular weight of 482.45 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449199
Molecular FormulaC22H20F2N8O3
Molecular Weight482.45 g/mol
Exact Mass482.16
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ncc(OC)cc3F)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C22H20F2N8O3/c1-25-18-8-17(30-19-12(10-27-32(18)19)21(33)29-16-7-13(16)23)28-15-4-3-5-31(22(15)34)20-14(24)6-11(35-2)9-26-20/h3-6,8-10,13,16,25H,7H2,1-2H3,(H,28,30)(H,29,33)/t13-,16+/m1/s1
InChIKeyLHPAOHPGJAVEMO-CJNGLKHVSA-N
XLogP2.05
TPSA127.47 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.45
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(3-fluoro-5-methoxy-2-pyridinyl)-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-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449199) is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(3-fluoro-5-methoxy-2-pyridinyl)-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-(3-fluoro-5-methoxy-2-pyridinyl)-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-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3ncc(OC)cc3F)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-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LHPAOHPGJAVEMO-CJNGLKHVSA-N. The full InChI is InChI=1S/C22H20F2N8O3/c1-25-18-8-17(30-19-12(10-27-32(18)19)21(33)29-16-7-13(16)23)28-15-4-3-5-31(22(15)34)20-14(24)6-11(35-2)9-26-20/h3-6,8-10,13,16,25H,7H2,1-2H3,(H,28,30)(H,29,33)/t13-,16+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 482.45 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).