7-amino-N-[(1S,2R)-2-fluorocyclopropyl]-6-methyl-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H22FN7O2 — CID 137449564

IUPAC7-amino-N-[(1S,2R)-2-fluorocyclopropyl]-6-methyl-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1c(Nc2cccnc2OC(C)C)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn2c1N
InChIInChI=1S/C19H22FN7O2/c1-9(2)29-19-13(5-4-6-22-19)24-16-10(3)15(21)27-17(26-16)11(8-23-27)18(28)25-14-7-12(14)20/h4-6,8-9,12,14H,7,21H2,1-3H3,(H,24,26)(H,25,28)/t12-,14+/m1/s1
InChIKeyQJQGCHWPPBNRQQ-OCCSQVGLSA-N
MW399.43 g/mol
LogP2.39
Rot. Bonds6

About 7-amino-N-[(1S,2R)-2-fluorocyclopropyl]-6-methyl-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-amino-N-[(1S,2R)-2-fluorocyclopropyl]-6-methyl-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449564) has the molecular formula C19H22FN7O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is 7-amino-N-[(1S,2R)-2-fluorocyclopropyl]-6-methyl-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-amino-N-[(1S,2R)-2-fluorocyclopropyl]-6-methyl-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449564
Molecular FormulaC19H22FN7O2
Molecular Weight399.43 g/mol
Exact Mass399.18
IUPAC Name7-amino-N-[(1S,2R)-2-fluorocyclopropyl]-6-methyl-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1c(Nc2cccnc2OC(C)C)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn2c1N
InChIInChI=1S/C19H22FN7O2/c1-9(2)29-19-13(5-4-6-22-19)24-16-10(3)15(21)27-17(26-16)11(8-23-27)18(28)25-14-7-12(14)20/h4-6,8-9,12,14H,7,21H2,1-3H3,(H,24,26)(H,25,28)/t12-,14+/m1/s1
InChIKeyQJQGCHWPPBNRQQ-OCCSQVGLSA-N
XLogP2.39
TPSA119.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-amino-N-[(1S,2R)-2-fluorocyclopropyl]-6-methyl-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(1S,2R)-2-fluorocyclopropyl]-6-methyl-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-amino-N-[(1S,2R)-2-fluorocyclopropyl]-6-methyl-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449564) is 7-amino-N-[(1S,2R)-2-fluorocyclopropyl]-6-methyl-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-amino-N-[(1S,2R)-2-fluorocyclopropyl]-6-methyl-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-amino-N-[(1S,2R)-2-fluorocyclopropyl]-6-methyl-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1c(Nc2cccnc2OC(C)C)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn2c1N.
What is the InChIKey of 7-amino-N-[(1S,2R)-2-fluorocyclopropyl]-6-methyl-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QJQGCHWPPBNRQQ-OCCSQVGLSA-N. The full InChI is InChI=1S/C19H22FN7O2/c1-9(2)29-19-13(5-4-6-22-19)24-16-10(3)15(21)27-17(26-16)11(8-23-27)18(28)25-14-7-12(14)20/h4-6,8-9,12,14H,7,21H2,1-3H3,(H,24,26)(H,25,28)/t12-,14+/m1/s1.
What are the key properties of 7-amino-N-[(1S,2R)-2-fluorocyclopropyl]-6-methyl-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-amino-N-[(1S,2R)-2-fluorocyclopropyl]-6-methyl-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 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(1S,2R)-2-fluorocyclopropyl]-6-methyl-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).