2-N-(1H-indazol-6-yl)-4-N-(piperidin-4-ylmethyl)furo[3,2-d]pyrimidine-2,4-diamine

C19H21N7O — CID 68751951

IUPAC2-N-(1H-indazol-6-yl)-4-N-(piperidin-4-ylmethyl)furo[3,2-d]pyrimidine-2,4-diamine
SMILESc1cc2nc(Nc3ccc4cn[nH]c4c3)nc(NCC3CCNCC3)c2o1
InChIInChI=1S/C19H21N7O/c1-2-14(9-16-13(1)11-22-26-16)23-19-24-15-5-8-27-17(15)18(25-19)21-10-12-3-6-20-7-4-12/h1-2,5,8-9,11-12,20H,3-4,6-7,10H2,(H,22,26)(H2,21,23,24,25)
InChIKeyQJVOHDNZCOEWQS-UHFFFAOYSA-N
MW363.43 g/mol
LogP3.25
Rot. Bonds5

About 2-N-(1H-indazol-6-yl)-4-N-(piperidin-4-ylmethyl)furo[3,2-d]pyrimidine-2,4-diamine

2-N-(1H-indazol-6-yl)-4-N-(piperidin-4-ylmethyl)furo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 68751951) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 2-N-(1H-indazol-6-yl)-4-N-(piperidin-4-ylmethyl)furo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1H-indazol-6-yl)-4-N-(piperidin-4-ylmethyl)furo[3,2-d]pyrimidine-2,4-diamine
PubChem CID68751951
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name2-N-(1H-indazol-6-yl)-4-N-(piperidin-4-ylmethyl)furo[3,2-d]pyrimidine-2,4-diamine
SMILESc1cc2nc(Nc3ccc4cn[nH]c4c3)nc(NCC3CCNCC3)c2o1
InChIInChI=1S/C19H21N7O/c1-2-14(9-16-13(1)11-22-26-16)23-19-24-15-5-8-27-17(15)18(25-19)21-10-12-3-6-20-7-4-12/h1-2,5,8-9,11-12,20H,3-4,6-7,10H2,(H,22,26)(H2,21,23,24,25)
InChIKeyQJVOHDNZCOEWQS-UHFFFAOYSA-N
XLogP3.25
TPSA103.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-indazol-6-yl)-4-N-(piperidin-4-ylmethyl)furo[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1H-indazol-6-yl)-4-N-(piperidin-4-ylmethyl)furo[3,2-d]pyrimidine-2,4-diamine (CID 68751951) is 2-N-(1H-indazol-6-yl)-4-N-(piperidin-4-ylmethyl)furo[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1H-indazol-6-yl)-4-N-(piperidin-4-ylmethyl)furo[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1H-indazol-6-yl)-4-N-(piperidin-4-ylmethyl)furo[3,2-d]pyrimidine-2,4-diamine is c1cc2nc(Nc3ccc4cn[nH]c4c3)nc(NCC3CCNCC3)c2o1.
What is the InChIKey of 2-N-(1H-indazol-6-yl)-4-N-(piperidin-4-ylmethyl)furo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is QJVOHDNZCOEWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-2-14(9-16-13(1)11-22-26-16)23-19-24-15-5-8-27-17(15)18(25-19)21-10-12-3-6-20-7-4-12/h1-2,5,8-9,11-12,20H,3-4,6-7,10H2,(H,22,26)(H2,21,23,24,25).
What are the key properties of 2-N-(1H-indazol-6-yl)-4-N-(piperidin-4-ylmethyl)furo[3,2-d]pyrimidine-2,4-diamine?
2-N-(1H-indazol-6-yl)-4-N-(piperidin-4-ylmethyl)furo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 363.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1H-indazol-6-yl)-4-N-(piperidin-4-ylmethyl)furo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 68751951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).