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

C23H23FN8O3 — CID 148798275

IUPAC5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES[2H]C([2H])([2H])O[C@H]1CC[C@@H]1NC(=O)c1cnn2c(NC)cc(Nc3cccn(-c4ncccc4F)c3=O)nc12
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-/m0/s1/i2D3
InChIKeyONNBUGHQPXRHTD-SJHYICJFSA-N
MW481.51 g/mol
LogP2.11
Rot. Bonds8

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

5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 148798275) has the molecular formula C23H23FN8O3 and a molecular weight of 481.51 g/mol. Its IUPAC name is 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID148798275
Molecular FormulaC23H23FN8O3
Molecular Weight481.51 g/mol
Exact Mass481.21
IUPAC Name5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES[2H]C([2H])([2H])O[C@H]1CC[C@@H]1NC(=O)c1cnn2c(NC)cc(Nc3cccn(-c4ncccc4F)c3=O)nc12
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-/m0/s1/i2D3
InChIKeyONNBUGHQPXRHTD-SJHYICJFSA-N
XLogP2.11
TPSA127.47 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153294281
5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449820
N-ethoxy-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441513
tert-butyl N-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137457412
N-[(1S,2S)-2-ethoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137457530
N-[(2R)-2-methoxycyclobutyl]-5-[[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449835
5-[[1-[(1S,2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383473
5-[[1-[(1S,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449245
5-[[1-[(1S,2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450000
N-[(2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154678730
5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449801
N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560354

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 148798275) is 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is [2H]C([2H])([2H])O[C@H]1CC[C@@H]1NC(=O)c1cnn2c(NC)cc(Nc3cccn(-c4ncccc4F)c3=O)nc12.
What is the InChIKey of 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ONNBUGHQPXRHTD-SJHYICJFSA-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-/m0/s1/i2D3.
What are the key properties of 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 481.51 g/mol, XLogP of 2.11, 8 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]-7-(methylamino)-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 148798275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).