5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H24FN7O3 — CID 146559230

IUPAC5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn([C@@H]3COC[C@@H]3F)c3ncccc23)nc2c(C(=O)NC3CC[C@H]3O)cnn12
InChIInChI=1S/C23H24FN7O3/c1-25-20-7-17(28-22-13(8-27-31(20)22)23(33)29-16-4-5-19(16)32)14-9-30(18-11-34-10-15(18)24)21-12(14)3-2-6-26-21/h2-3,6-9,15-16,18-19,25,32H,4-5,10-11H2,1H3,(H,29,33)/t15-,16?,18+,19+/m0/s1
InChIKeyZCONRYMDXTVKRQ-IOWXSEBVSA-N
MW465.49 g/mol
LogP1.95
Rot. Bonds5

About 5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146559230) has the molecular formula C23H24FN7O3 and a molecular weight of 465.49 g/mol. Its IUPAC name is 5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146559230
Molecular FormulaC23H24FN7O3
Molecular Weight465.49 g/mol
Exact Mass465.19
IUPAC Name5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn([C@@H]3COC[C@@H]3F)c3ncccc23)nc2c(C(=O)NC3CC[C@H]3O)cnn12
InChIInChI=1S/C23H24FN7O3/c1-25-20-7-17(28-22-13(8-27-31(20)22)23(33)29-16-4-5-19(16)32)14-9-30(18-11-34-10-15(18)24)21-12(14)3-2-6-26-21/h2-3,6-9,15-16,18-19,25,32H,4-5,10-11H2,1H3,(H,29,33)/t15-,16?,18+,19+/m0/s1
InChIKeyZCONRYMDXTVKRQ-IOWXSEBVSA-N
XLogP1.95
TPSA118.60 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146559230) is 5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn([C@@H]3COC[C@@H]3F)c3ncccc23)nc2c(C(=O)NC3CC[C@H]3O)cnn12.
What is the InChIKey of 5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZCONRYMDXTVKRQ-IOWXSEBVSA-N. The full InChI is InChI=1S/C23H24FN7O3/c1-25-20-7-17(28-22-13(8-27-31(20)22)23(33)29-16-4-5-19(16)32)14-9-30(18-11-34-10-15(18)24)21-12(14)3-2-6-26-21/h2-3,6-9,15-16,18-19,25,32H,4-5,10-11H2,1H3,(H,29,33)/t15-,16?,18+,19+/m0/s1.
What are the key properties of 5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146559230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).