N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide

C27H28FN5O — CID 59463678

IUPACN-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(F)c(C2(C(=O)Nc3ccc(-c4cc(C(C)C)nc5c4c(N)nn5C)cc3)CC2)c1
InChIInChI=1S/C27H28FN5O/c1-15(2)22-14-19(23-24(29)32-33(4)25(23)31-22)17-6-8-18(9-7-17)30-26(34)27(11-12-27)20-13-16(3)5-10-21(20)28/h5-10,13-15H,11-12H2,1-4H3,(H2,29,32)(H,30,34)
InChIKeyJQZICJIBZRVWKI-UHFFFAOYSA-N
MW457.55 g/mol
LogP5.46
Rot. Bonds5

About N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide

N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 59463678) has the molecular formula C27H28FN5O and a molecular weight of 457.55 g/mol. Its IUPAC name is N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide
PubChem CID59463678
Molecular FormulaC27H28FN5O
Molecular Weight457.55 g/mol
Exact Mass457.23
IUPAC NameN-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(F)c(C2(C(=O)Nc3ccc(-c4cc(C(C)C)nc5c4c(N)nn5C)cc3)CC2)c1
InChIInChI=1S/C27H28FN5O/c1-15(2)22-14-19(23-24(29)32-33(4)25(23)31-22)17-6-8-18(9-7-17)30-26(34)27(11-12-27)20-13-16(3)5-10-21(20)28/h5-10,13-15H,11-12H2,1-4H3,(H2,29,32)(H,30,34)
InChIKeyJQZICJIBZRVWKI-UHFFFAOYSA-N
XLogP5.46
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.55
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide (CID 59463678) is N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide is Cc1ccc(F)c(C2(C(=O)Nc3ccc(-c4cc(C(C)C)nc5c4c(N)nn5C)cc3)CC2)c1.
What is the InChIKey of N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is JQZICJIBZRVWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O/c1-15(2)22-14-19(23-24(29)32-33(4)25(23)31-22)17-6-8-18(9-7-17)30-26(34)27(11-12-27)20-13-16(3)5-10-21(20)28/h5-10,13-15H,11-12H2,1-4H3,(H2,29,32)(H,30,34).
What are the key properties of N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide?
N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 59463678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).