1-[6-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-4,5-dihydropyrimidin-2-yl]piperidin-4-amine

C22H25N7O — CID 163547408

IUPAC1-[6-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-4,5-dihydropyrimidin-2-yl]piperidin-4-amine
SMILESCOc1cncc(-c2ccc3[nH]nc(C4=NC(N5CCC(N)CC5)=NCC4)c3c2)c1
InChIInChI=1S/C22H25N7O/c1-30-17-10-15(12-24-13-17)14-2-3-19-18(11-14)21(28-27-19)20-4-7-25-22(26-20)29-8-5-16(23)6-9-29/h2-3,10-13,16H,4-9,23H2,1H3,(H,27,28)
InChIKeyFGFSWUHIHXPYFS-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.61
Rot. Bonds3

About 1-[6-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-4,5-dihydropyrimidin-2-yl]piperidin-4-amine

1-[6-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-4,5-dihydropyrimidin-2-yl]piperidin-4-amine (PubChem CID 163547408) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-[6-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-4,5-dihydropyrimidin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[6-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-4,5-dihydropyrimidin-2-yl]piperidin-4-amine
PubChem CID163547408
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name1-[6-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-4,5-dihydropyrimidin-2-yl]piperidin-4-amine
SMILESCOc1cncc(-c2ccc3[nH]nc(C4=NC(N5CCC(N)CC5)=NCC4)c3c2)c1
InChIInChI=1S/C22H25N7O/c1-30-17-10-15(12-24-13-17)14-2-3-19-18(11-14)21(28-27-19)20-4-7-25-22(26-20)29-8-5-16(23)6-9-29/h2-3,10-13,16H,4-9,23H2,1H3,(H,27,28)
InChIKeyFGFSWUHIHXPYFS-UHFFFAOYSA-N
XLogP2.61
TPSA104.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[6-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-4,5-dihydropyrimidin-2-yl]piperidin-4-amine with MolForge

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Related Compounds

2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-7-piperidin-1-yl-1H-imidazo[4,5-b]pyridine
CID 136938039
1-[6-(5-quinoxalin-6-yl-1H-indazol-3-yl)pyrazin-2-yl]piperidin-4-amine
CID 67959936
5-(5-methoxy-3-pyridinyl)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole
CID 137111841
1-[6-[5-(3-fluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 67959669
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole
CID 137034009
1-[6-[5-(5-ethenyl-2-methoxy-6-methyl-3-pyridinyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 123670336
1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 67959941
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridine
CID 137088040
3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole
CID 137310690
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole
CID 137087816
N,N-dimethyl-2-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137116507
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole
CID 137283108

Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-4,5-dihydropyrimidin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[6-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-4,5-dihydropyrimidin-2-yl]piperidin-4-amine (CID 163547408) is 1-[6-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-4,5-dihydropyrimidin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[6-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-4,5-dihydropyrimidin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[6-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-4,5-dihydropyrimidin-2-yl]piperidin-4-amine is COc1cncc(-c2ccc3[nH]nc(C4=NC(N5CCC(N)CC5)=NCC4)c3c2)c1.
What is the InChIKey of 1-[6-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-4,5-dihydropyrimidin-2-yl]piperidin-4-amine?
The InChIKey is FGFSWUHIHXPYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-30-17-10-15(12-24-13-17)14-2-3-19-18(11-14)21(28-27-19)20-4-7-25-22(26-20)29-8-5-16(23)6-9-29/h2-3,10-13,16H,4-9,23H2,1H3,(H,27,28).
What are the key properties of 1-[6-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-4,5-dihydropyrimidin-2-yl]piperidin-4-amine?
1-[6-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-4,5-dihydropyrimidin-2-yl]piperidin-4-amine has a molecular weight of 403.49 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-4,5-dihydropyrimidin-2-yl]piperidin-4-amine is sourced from PubChem (CID 163547408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).