2-[3-fluoro-4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine

C25H31FN6 — CID 142594305

IUPAC2-[3-fluoro-4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4ccnc5[nH]ncc45)c(C(C)C)c3c2)C(F)C1
InChIInChI=1S/C25H31FN6/c1-15(2)23-19-12-16(17-7-10-32(11-9-27-3)14-21(17)26)4-5-22(19)30-24(23)18-6-8-28-25-20(18)13-29-31-25/h4-6,8,12-13,15,17,21,27,30H,7,9-11,14H2,1-3H3,(H,28,29,31)
InChIKeyDHPNZXOJCFHDEG-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.58
Rot. Bonds6

About 2-[3-fluoro-4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine

2-[3-fluoro-4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine (PubChem CID 142594305) has the molecular formula C25H31FN6 and a molecular weight of 434.56 g/mol. Its IUPAC name is 2-[3-fluoro-4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-fluoro-4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
PubChem CID142594305
Molecular FormulaC25H31FN6
Molecular Weight434.56 g/mol
Exact Mass434.26
IUPAC Name2-[3-fluoro-4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4ccnc5[nH]ncc45)c(C(C)C)c3c2)C(F)C1
InChIInChI=1S/C25H31FN6/c1-15(2)23-19-12-16(17-7-10-32(11-9-27-3)14-21(17)26)4-5-22(19)30-24(23)18-6-8-28-25-20(18)13-29-31-25/h4-6,8,12-13,15,17,21,27,30H,7,9-11,14H2,1-3H3,(H,28,29,31)
InChIKeyDHPNZXOJCFHDEG-UHFFFAOYSA-N
XLogP4.58
TPSA72.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[3-fluoro-4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine with MolForge

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Related Compounds

2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 142594342
4-[3-propan-2-yl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
CID 142594191
4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
CID 154639567
4-[5-(4-piperidin-4-yloxycyclohexyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
CID 151530371
4-[2-oxo-2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethyl]piperazin-2-one
CID 142594746
1-[6-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]pyrimidin-4-yl]piperidin-4-amine
CID 154640013
2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-oxazole
CID 175042525
4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol
CID 142594614
3-methyl-4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 142593745
2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
CID 134329624
2-(3-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329571
2-amino-1-[4-[3-ethyl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 142594157

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[3-fluoro-4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine (CID 142594305) is 2-[3-fluoro-4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[3-fluoro-4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[3-fluoro-4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine is CNCCN1CCC(c2ccc3[nH]c(-c4ccnc5[nH]ncc45)c(C(C)C)c3c2)C(F)C1.
What is the InChIKey of 2-[3-fluoro-4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The InChIKey is DHPNZXOJCFHDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6/c1-15(2)23-19-12-16(17-7-10-32(11-9-27-3)14-21(17)26)4-5-22(19)30-24(23)18-6-8-28-25-20(18)13-29-31-25/h4-6,8,12-13,15,17,21,27,30H,7,9-11,14H2,1-3H3,(H,28,29,31).
What are the key properties of 2-[3-fluoro-4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
2-[3-fluoro-4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine has a molecular weight of 434.56 g/mol, XLogP of 4.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 142594305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).