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

C19H19F2N7O2 — CID 137449693

IUPAC5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)cnc2OC2CC2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C19H19F2N7O2/c1-22-16-6-15(25-14-4-9(20)7-23-19(14)30-10-2-3-10)27-17-11(8-24-28(16)17)18(29)26-13-5-12(13)21/h4,6-8,10,12-13,22H,2-3,5H2,1H3,(H,25,27)(H,26,29)/t12-,13+/m1/s1
InChIKeyWZAXRYGLOZEKDW-OLZOCXBDSA-N
MW415.40 g/mol
LogP2.43
Rot. Bonds7

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

5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449693) has the molecular formula C19H19F2N7O2 and a molecular weight of 415.40 g/mol. Its IUPAC name is 5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449693
Molecular FormulaC19H19F2N7O2
Molecular Weight415.40 g/mol
Exact Mass415.16
IUPAC Name5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)cnc2OC2CC2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C19H19F2N7O2/c1-22-16-6-15(25-14-4-9(20)7-23-19(14)30-10-2-3-10)27-17-11(8-24-28(16)17)18(29)26-13-5-12(13)21/h4,6-8,10,12-13,22H,2-3,5H2,1H3,(H,25,27)(H,26,29)/t12-,13+/m1/s1
InChIKeyWZAXRYGLOZEKDW-OLZOCXBDSA-N
XLogP2.43
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449693) is 5-[(2-cyclopropyloxy-5-fluoro-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-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(F)cnc2OC2CC2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of 5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WZAXRYGLOZEKDW-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H19F2N7O2/c1-22-16-6-15(25-14-4-9(20)7-23-19(14)30-10-2-3-10)27-17-11(8-24-28(16)17)18(29)26-13-5-12(13)21/h4,6-8,10,12-13,22H,2-3,5H2,1H3,(H,25,27)(H,26,29)/t12-,13+/m1/s1.
What are the key properties of 5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 415.40 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).