4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine

C24H24FN7O2 — CID 118346664

IUPAC4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
SMILESCNc1cc(F)cc2c1[nH]c1nc(Oc3cnc4ccoc4c3)nc(N3CCC(C)(CN)C3)c12
InChIInChI=1S/C24H24FN7O2/c1-24(11-26)4-5-32(12-24)22-19-15-7-13(25)8-17(27-2)20(15)29-21(19)30-23(31-22)34-14-9-18-16(28-10-14)3-6-33-18/h3,6-10,27H,4-5,11-12,26H2,1-2H3,(H,29,30,31)
InChIKeyHJMMHYYHISVHDN-UHFFFAOYSA-N
MW461.50 g/mol
LogP4.40
Rot. Bonds5

About 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine

4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine (PubChem CID 118346664) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine.

Molecular Properties

Compound Name4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
PubChem CID118346664
Molecular FormulaC24H24FN7O2
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC Name4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
SMILESCNc1cc(F)cc2c1[nH]c1nc(Oc3cnc4ccoc4c3)nc(N3CCC(C)(CN)C3)c12
InChIInChI=1S/C24H24FN7O2/c1-24(11-26)4-5-32(12-24)22-19-15-7-13(25)8-17(27-2)20(15)29-21(19)30-23(31-22)34-14-9-18-16(28-10-14)3-6-33-18/h3,6-10,27H,4-5,11-12,26H2,1-2H3,(H,29,30,31)
InChIKeyHJMMHYYHISVHDN-UHFFFAOYSA-N
XLogP4.40
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine?
The IUPAC name of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine (CID 118346664) is 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine.
What is the SMILES notation for 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine?
The canonical SMILES for 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine is CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc4ccoc4c3)nc(N3CCC(C)(CN)C3)c12.
What is the InChIKey of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine?
The InChIKey is HJMMHYYHISVHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O2/c1-24(11-26)4-5-32(12-24)22-19-15-7-13(25)8-17(27-2)20(15)29-21(19)30-23(31-22)34-14-9-18-16(28-10-14)3-6-33-18/h3,6-10,27H,4-5,11-12,26H2,1-2H3,(H,29,30,31).
What are the key properties of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine?
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine has a molecular weight of 461.50 g/mol, XLogP of 4.40, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine is sourced from PubChem (CID 118346664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).