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

C19H22FN7O2 — CID 137457907

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC(C)C)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C19H22FN7O2/c1-10(2)29-19-13(5-4-6-22-19)24-15-8-16(21-3)27-17(26-15)11(9-23-27)18(28)25-14-7-12(14)20/h4-6,8-10,12,14,21H,7H2,1-3H3,(H,24,26)(H,25,28)/t12-,14+/m1/s1
InChIKeyXTNXGZHNMAUYIJ-OCCSQVGLSA-N
MW399.43 g/mol
LogP2.54
Rot. Bonds7

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

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137457907) has the molecular formula C19H22FN7O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137457907
Molecular FormulaC19H22FN7O2
Molecular Weight399.43 g/mol
Exact Mass399.18
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC(C)C)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C19H22FN7O2/c1-10(2)29-19-13(5-4-6-22-19)24-15-8-16(21-3)27-17(26-15)11(9-23-27)18(28)25-14-7-12(14)20/h4-6,8-10,12,14,21H,7H2,1-3H3,(H,24,26)(H,25,28)/t12-,14+/m1/s1
InChIKeyXTNXGZHNMAUYIJ-OCCSQVGLSA-N
XLogP2.54
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137457907) is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2OC(C)C)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XTNXGZHNMAUYIJ-OCCSQVGLSA-N. The full InChI is InChI=1S/C19H22FN7O2/c1-10(2)29-19-13(5-4-6-22-19)24-15-8-16(21-3)27-17(26-15)11(9-23-27)18(28)25-14-7-12(14)20/h4-6,8-10,12,14,21H,7H2,1-3H3,(H,24,26)(H,25,28)/t12-,14+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 399.43 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137457907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).