3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-6,7-dihydro-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine

C37H40FN7O2 — CID 137033134

IUPAC3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-6,7-dihydro-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESCC1C=C(c2cc(F)cc(OCCN3CCCC3)c2)c2cc(-c3n[nH]c4cnc(-c5cncc(OC6CCNCC6)c5)cc34)[nH]c2C1
InChIInChI=1S/C37H40FN7O2/c1-23-12-30(24-14-26(38)17-28(15-24)46-11-10-45-8-2-3-9-45)31-18-35(42-34(31)13-23)37-32-19-33(41-22-36(32)43-44-37)25-16-29(21-40-20-25)47-27-4-6-39-7-5-27/h12,14-23,27,39,42H,2-11,13H2,1H3,(H,43,44)
InChIKeyLBKYGUYYDHSTFB-UHFFFAOYSA-N
MW633.77 g/mol
LogP6.38
Rot. Bonds9

About 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-6,7-dihydro-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine

3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-6,7-dihydro-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137033134) has the molecular formula C37H40FN7O2 and a molecular weight of 633.77 g/mol. Its IUPAC name is 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-6,7-dihydro-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-6,7-dihydro-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID137033134
Molecular FormulaC37H40FN7O2
Molecular Weight633.77 g/mol
Exact Mass633.32
IUPAC Name3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-6,7-dihydro-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESCC1C=C(c2cc(F)cc(OCCN3CCCC3)c2)c2cc(-c3n[nH]c4cnc(-c5cncc(OC6CCNCC6)c5)cc34)[nH]c2C1
InChIInChI=1S/C37H40FN7O2/c1-23-12-30(24-14-26(38)17-28(15-24)46-11-10-45-8-2-3-9-45)31-18-35(42-34(31)13-23)37-32-19-33(41-22-36(32)43-44-37)25-16-29(21-40-20-25)47-27-4-6-39-7-5-27/h12,14-23,27,39,42H,2-11,13H2,1H3,(H,43,44)
InChIKeyLBKYGUYYDHSTFB-UHFFFAOYSA-N
XLogP6.38
TPSA103.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.77
LogP ≤ 56.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-6,7-dihydro-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-6,7-dihydro-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-6,7-dihydro-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (CID 137033134) is 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-6,7-dihydro-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-6,7-dihydro-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-6,7-dihydro-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is CC1C=C(c2cc(F)cc(OCCN3CCCC3)c2)c2cc(-c3n[nH]c4cnc(-c5cncc(OC6CCNCC6)c5)cc34)[nH]c2C1.
What is the InChIKey of 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-6,7-dihydro-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is LBKYGUYYDHSTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40FN7O2/c1-23-12-30(24-14-26(38)17-28(15-24)46-11-10-45-8-2-3-9-45)31-18-35(42-34(31)13-23)37-32-19-33(41-22-36(32)43-44-37)25-16-29(21-40-20-25)47-27-4-6-39-7-5-27/h12,14-23,27,39,42H,2-11,13H2,1H3,(H,43,44).
What are the key properties of 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-6,7-dihydro-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-6,7-dihydro-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 633.77 g/mol, XLogP of 6.38, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-6,7-dihydro-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137033134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).