N-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide

C24H23F2N7O2 — CID 139413887

IUPACN-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3nn(C)cc3c2N2CC[C@@H](N)C2)n1
InChIInChI=1S/C24H23F2N7O2/c1-32-12-14-21(31-32)16(26)10-18(22(14)33-9-7-13(27)11-33)30-24(34)17-6-8-28-23(29-17)20-15(25)4-3-5-19(20)35-2/h3-6,8,10,12-13H,7,9,11,27H2,1-2H3,(H,30,34)/t13-/m1/s1
InChIKeyFKWAGVCCEZPSSL-CYBMUJFWSA-N
MW479.49 g/mol
LogP3.11
Rot. Bonds5

About N-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide

N-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 139413887) has the molecular formula C24H23F2N7O2 and a molecular weight of 479.49 g/mol. Its IUPAC name is N-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID139413887
Molecular FormulaC24H23F2N7O2
Molecular Weight479.49 g/mol
Exact Mass479.19
IUPAC NameN-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3nn(C)cc3c2N2CC[C@@H](N)C2)n1
InChIInChI=1S/C24H23F2N7O2/c1-32-12-14-21(31-32)16(26)10-18(22(14)33-9-7-13(27)11-33)30-24(34)17-6-8-28-23(29-17)20-15(25)4-3-5-19(20)35-2/h3-6,8,10,12-13H,7,9,11,27H2,1-2H3,(H,30,34)/t13-/m1/s1
InChIKeyFKWAGVCCEZPSSL-CYBMUJFWSA-N
XLogP3.11
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of N-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide (CID 139413887) is N-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide is COc1cccc(F)c1-c1nccc(C(=O)Nc2cc(F)c3nn(C)cc3c2N2CC[C@@H](N)C2)n1.
What is the InChIKey of N-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is FKWAGVCCEZPSSL-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H23F2N7O2/c1-32-12-14-21(31-32)16(26)10-18(22(14)33-9-7-13(27)11-33)30-24(34)17-6-8-28-23(29-17)20-15(25)4-3-5-19(20)35-2/h3-6,8,10,12-13H,7,9,11,27H2,1-2H3,(H,30,34)/t13-/m1/s1.
What are the key properties of N-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide?
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 479.49 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-fluoro-2-methylindazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 139413887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).