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

C22H26FN7O2 — CID 137449648

IUPAC5-[(2-cyclohexyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC2CCCCC2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C22H26FN7O2/c1-24-19-11-18(27-16-8-5-9-25-22(16)32-13-6-3-2-4-7-13)29-20-14(12-26-30(19)20)21(31)28-17-10-15(17)23/h5,8-9,11-13,15,17,24H,2-4,6-7,10H2,1H3,(H,27,29)(H,28,31)/t15-,17+/m1/s1
InChIKeyVDVNUQFFOTXKTH-WBVHZDCISA-N
MW439.50 g/mol
LogP3.46
Rot. Bonds7

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

5-[(2-cyclohexyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449648) has the molecular formula C22H26FN7O2 and a molecular weight of 439.50 g/mol. Its IUPAC name is 5-[(2-cyclohexyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-cyclohexyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449648
Molecular FormulaC22H26FN7O2
Molecular Weight439.50 g/mol
Exact Mass439.21
IUPAC Name5-[(2-cyclohexyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC2CCCCC2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C22H26FN7O2/c1-24-19-11-18(27-16-8-5-9-25-22(16)32-13-6-3-2-4-7-13)29-20-14(12-26-30(19)20)21(31)28-17-10-15(17)23/h5,8-9,11-13,15,17,24H,2-4,6-7,10H2,1H3,(H,27,29)(H,28,31)/t15-,17+/m1/s1
InChIKeyVDVNUQFFOTXKTH-WBVHZDCISA-N
XLogP3.46
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclohexyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2-cyclohexyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449648) is 5-[(2-cyclohexyloxy-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-cyclohexyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2-cyclohexyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2OC2CCCCC2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of 5-[(2-cyclohexyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VDVNUQFFOTXKTH-WBVHZDCISA-N. The full InChI is InChI=1S/C22H26FN7O2/c1-24-19-11-18(27-16-8-5-9-25-22(16)32-13-6-3-2-4-7-13)29-20-14(12-26-30(19)20)21(31)28-17-10-15(17)23/h5,8-9,11-13,15,17,24H,2-4,6-7,10H2,1H3,(H,27,29)(H,28,31)/t15-,17+/m1/s1.
What are the key properties of 5-[(2-cyclohexyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2-cyclohexyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 439.50 g/mol, XLogP of 3.46, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclohexyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).