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

C23H23FN8O3 — CID 137450181

IUPAC5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)NC3CC[C@H]3OC)cnn12
InChIInChI=1S/C23H23FN8O3/c1-25-19-11-18(28-16-6-4-10-31(23(16)34)21-14(24)5-3-9-26-21)30-20-13(12-27-32(19)20)22(33)29-15-7-8-17(15)35-2/h3-6,9-12,15,17,25H,7-8H2,1-2H3,(H,28,30)(H,29,33)/t15?,17-/m1/s1
InChIKeyONNBUGHQPXRHTD-OMOCHNIRSA-N
MW478.49 g/mol
LogP2.11
Rot. Bonds7

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

5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450181) has the molecular formula C23H23FN8O3 and a molecular weight of 478.49 g/mol. Its IUPAC name is 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137450181
Molecular FormulaC23H23FN8O3
Molecular Weight478.49 g/mol
Exact Mass478.19
IUPAC Name5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)NC3CC[C@H]3OC)cnn12
InChIInChI=1S/C23H23FN8O3/c1-25-19-11-18(28-16-6-4-10-31(23(16)34)21-14(24)5-3-9-26-21)30-20-13(12-27-32(19)20)22(33)29-15-7-8-17(15)35-2/h3-6,9-12,15,17,25H,7-8H2,1-2H3,(H,28,30)(H,29,33)/t15?,17-/m1/s1
InChIKeyONNBUGHQPXRHTD-OMOCHNIRSA-N
XLogP2.11
TPSA127.47 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.49
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450181) is 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(C(=O)NC3CC[C@H]3OC)cnn12.
What is the InChIKey of 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ONNBUGHQPXRHTD-OMOCHNIRSA-N. The full InChI is InChI=1S/C23H23FN8O3/c1-25-19-11-18(28-16-6-4-10-31(23(16)34)21-14(24)5-3-9-26-21)30-20-13(12-27-32(19)20)22(33)29-15-7-8-17(15)35-2/h3-6,9-12,15,17,25H,7-8H2,1-2H3,(H,28,30)(H,29,33)/t15?,17-/m1/s1.
What are the key properties of 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 478.49 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).