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

C19H22FN7O4 — CID 137449319

IUPAC5-[[2-(1,3-dihydroxypropan-2-yloxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC(CO)CO)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C19H22FN7O4/c1-21-16-6-15(24-13-3-2-4-22-19(13)31-10(8-28)9-29)26-17-11(7-23-27(16)17)18(30)25-14-5-12(14)20/h2-4,6-7,10,12,14,21,28-29H,5,8-9H2,1H3,(H,24,26)(H,25,30)/t12-,14+/m1/s1
InChIKeyHCQVPORINQAWNS-OCCSQVGLSA-N
MW431.43 g/mol
LogP0.48
Rot. Bonds9

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

5-[[2-(1,3-dihydroxypropan-2-yloxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449319) has the molecular formula C19H22FN7O4 and a molecular weight of 431.43 g/mol. Its IUPAC name is 5-[[2-(1,3-dihydroxypropan-2-yloxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-(1,3-dihydroxypropan-2-yloxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449319
Molecular FormulaC19H22FN7O4
Molecular Weight431.43 g/mol
Exact Mass431.17
IUPAC Name5-[[2-(1,3-dihydroxypropan-2-yloxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC(CO)CO)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C19H22FN7O4/c1-21-16-6-15(24-13-3-2-4-22-19(13)31-10(8-28)9-29)26-17-11(7-23-27(16)17)18(30)25-14-5-12(14)20/h2-4,6-7,10,12,14,21,28-29H,5,8-9H2,1H3,(H,24,26)(H,25,30)/t12-,14+/m1/s1
InChIKeyHCQVPORINQAWNS-OCCSQVGLSA-N
XLogP0.48
TPSA145.93 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 50.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 5-[[2-(1,3-dihydroxypropan-2-yloxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1,3-dihydroxypropan-2-yloxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[2-(1,3-dihydroxypropan-2-yloxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449319) is 5-[[2-(1,3-dihydroxypropan-2-yloxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[2-(1,3-dihydroxypropan-2-yloxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[2-(1,3-dihydroxypropan-2-yloxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2OC(CO)CO)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of 5-[[2-(1,3-dihydroxypropan-2-yloxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HCQVPORINQAWNS-OCCSQVGLSA-N. The full InChI is InChI=1S/C19H22FN7O4/c1-21-16-6-15(24-13-3-2-4-22-19(13)31-10(8-28)9-29)26-17-11(7-23-27(16)17)18(30)25-14-5-12(14)20/h2-4,6-7,10,12,14,21,28-29H,5,8-9H2,1H3,(H,24,26)(H,25,30)/t12-,14+/m1/s1.
What are the key properties of 5-[[2-(1,3-dihydroxypropan-2-yloxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[2-(1,3-dihydroxypropan-2-yloxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 431.43 g/mol, XLogP of 0.48, 9 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1,3-dihydroxypropan-2-yloxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).