tert-butyl (3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate

C27H30FN7O2 — CID 140877061

IUPACtert-butyl (3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCc1cc(-c2nc(-c3cnn4ccccc34)nc(N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2F)ccn1
InChIInChI=1S/C27H30FN7O2/c1-17-14-18(10-11-29-17)23-22(28)25(31-19-8-7-12-34(16-19)26(36)37-27(2,3)4)33-24(32-23)20-15-30-35-13-6-5-9-21(20)35/h5-6,9-11,13-15,19H,7-8,12,16H2,1-4H3,(H,31,32,33)/t19-/m1/s1
InChIKeyIGKPTSAEDSVNDD-LJQANCHMSA-N
MW503.58 g/mol
LogP5.11
Rot. Bonds4

About tert-butyl (3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate

tert-butyl (3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 140877061) has the molecular formula C27H30FN7O2 and a molecular weight of 503.58 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate
PubChem CID140877061
Molecular FormulaC27H30FN7O2
Molecular Weight503.58 g/mol
Exact Mass503.24
IUPAC Nametert-butyl (3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCc1cc(-c2nc(-c3cnn4ccccc34)nc(N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2F)ccn1
InChIInChI=1S/C27H30FN7O2/c1-17-14-18(10-11-29-17)23-22(28)25(31-19-8-7-12-34(16-19)26(36)37-27(2,3)4)33-24(32-23)20-15-30-35-13-6-5-9-21(20)35/h5-6,9-11,13-15,19H,7-8,12,16H2,1-4H3,(H,31,32,33)/t19-/m1/s1
InChIKeyIGKPTSAEDSVNDD-LJQANCHMSA-N
XLogP5.11
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.58
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl (3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-[(6-chloro-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 134587639
tert-butyl (3R)-3-[[6-(2,6-dimethyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 140877060
tert-butyl (3S)-3-[(3-amino-6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 52933663
tert-butyl (3R)-3-[5-fluoro-6-(2-hydroxyethoxy)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 140877082
3-[(3R)-3-[[5-fluoro-6-[3-hydroxy-4-[[methyl(pyridin-4-yl)amino]methyl]phenyl]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 118140466
3-[(3R)-3-[[6-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 118140537
3-[(3R)-3-[[6-(4-formylphenyl)-5-methyl-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 118140390
tert-butyl (3R)-3-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]piperidine-1-carboxylate
CID 122430848
tert-butyl (3R)-3-[(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933931
tert-butyl (3R)-3-[(5-fluoro-6-methoxy-8-methylisoquinolin-1-yl)amino]piperidine-1-carboxylate
CID 172533258
tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate
CID 159447658
3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 169129477

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate (CID 140877061) is tert-butyl (3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate is Cc1cc(-c2nc(-c3cnn4ccccc34)nc(N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2F)ccn1.
What is the InChIKey of tert-butyl (3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is IGKPTSAEDSVNDD-LJQANCHMSA-N. The full InChI is InChI=1S/C27H30FN7O2/c1-17-14-18(10-11-29-17)23-22(28)25(31-19-8-7-12-34(16-19)26(36)37-27(2,3)4)33-24(32-23)20-15-30-35-13-6-5-9-21(20)35/h5-6,9-11,13-15,19H,7-8,12,16H2,1-4H3,(H,31,32,33)/t19-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 503.58 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 140877061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).