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

C22H21FN8O3 — CID 137449197

IUPACN-cyclopropyl-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)NC3CC3)cnn12
InChIInChI=1S/C22H21FN8O3/c1-24-18-9-17(29-19-14(11-26-31(18)19)21(32)27-12-5-6-12)28-16-4-3-7-30(22(16)33)20-15(23)8-13(34-2)10-25-20/h3-4,7-12,24H,5-6H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyILWUXTCBFGZBKH-UHFFFAOYSA-N
MW464.46 g/mol
LogP2.10
Rot. Bonds7

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

N-cyclopropyl-5-[[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449197) has the molecular formula C22H21FN8O3 and a molecular weight of 464.46 g/mol. Its IUPAC name is N-cyclopropyl-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-cyclopropyl-5-[[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449197
Molecular FormulaC22H21FN8O3
Molecular Weight464.46 g/mol
Exact Mass464.17
IUPAC NameN-cyclopropyl-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)NC3CC3)cnn12
InChIInChI=1S/C22H21FN8O3/c1-24-18-9-17(29-19-14(11-26-31(18)19)21(32)27-12-5-6-12)28-16-4-3-7-30(22(16)33)20-15(23)8-13(34-2)10-25-20/h3-4,7-12,24H,5-6H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyILWUXTCBFGZBKH-UHFFFAOYSA-N
XLogP2.10
TPSA127.47 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-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-cyclopropyl-5-[[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449197) is N-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-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 ILWUXTCBFGZBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN8O3/c1-24-18-9-17(29-19-14(11-26-31(18)19)21(32)27-12-5-6-12)28-16-4-3-7-30(22(16)33)20-15(23)8-13(34-2)10-25-20/h3-4,7-12,24H,5-6H2,1-2H3,(H,27,32)(H,28,29).
What are the key properties of N-cyclopropyl-5-[[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-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 464.46 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-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 137449197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).