4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine

C19H20FN7O — CID 67130047

IUPAC4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine
SMILESNCC1(F)CCN(c2nc(Nc3ccc4cn[nH]c4c3)nc3ccoc23)CC1
InChIInChI=1S/C19H20FN7O/c20-19(11-21)4-6-27(7-5-19)17-16-14(3-8-28-16)24-18(25-17)23-13-2-1-12-10-22-26-15(12)9-13/h1-3,8-10H,4-7,11,21H2,(H,22,26)(H,23,24,25)
InChIKeySARHMJQKKRDILF-UHFFFAOYSA-N
MW381.42 g/mol
LogP3.11
Rot. Bonds4

About 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine

4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine (PubChem CID 67130047) has the molecular formula C19H20FN7O and a molecular weight of 381.42 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine
PubChem CID67130047
Molecular FormulaC19H20FN7O
Molecular Weight381.42 g/mol
Exact Mass381.17
IUPAC Name4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine
SMILESNCC1(F)CCN(c2nc(Nc3ccc4cn[nH]c4c3)nc3ccoc23)CC1
InChIInChI=1S/C19H20FN7O/c20-19(11-21)4-6-27(7-5-19)17-16-14(3-8-28-16)24-18(25-17)23-13-2-1-12-10-22-26-15(12)9-13/h1-3,8-10H,4-7,11,21H2,(H,22,26)(H,23,24,25)
InChIKeySARHMJQKKRDILF-UHFFFAOYSA-N
XLogP3.11
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine (CID 67130047) is 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine is NCC1(F)CCN(c2nc(Nc3ccc4cn[nH]c4c3)nc3ccoc23)CC1.
What is the InChIKey of 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine?
The InChIKey is SARHMJQKKRDILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O/c20-19(11-21)4-6-27(7-5-19)17-16-14(3-8-28-16)24-18(25-17)23-13-2-1-12-10-22-26-15(12)9-13/h1-3,8-10H,4-7,11,21H2,(H,22,26)(H,23,24,25).
What are the key properties of 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine?
4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine has a molecular weight of 381.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 67130047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).