2-[(Z)-1-amino-2-[2-amino-5-(5-piperidin-4-ylpyrimidin-2-yl)spiro[6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-3-yl]ethenyl]phenol

C26H31N7O — CID 170612936

About 2-[(Z)-1-amino-2-[2-amino-5-(5-piperidin-4-ylpyrimidin-2-yl)spiro[6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-3-yl]ethenyl]phenol

2-[(Z)-1-amino-2-[2-amino-5-(5-piperidin-4-ylpyrimidin-2-yl)spiro[6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-3-yl]ethenyl]phenol (PubChem CID 170612936) has the molecular formula C26H31N7O and a molecular weight of 457.58 g/mol. Its IUPAC name is 2-[(Z)-1-amino-2-[2-amino-5-(5-piperidin-4-ylpyrimidin-2-yl)spiro[6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-3-yl]ethenyl]phenol.

Molecular Properties

• Compound Name: 2-[(Z)-1-amino-2-[2-amino-5-(5-piperidin-4-ylpyrimidin-2-yl)spiro[6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-3-yl]ethenyl]phenol
• PubChem CID: 170612936
• Molecular Formula: C26H31N7O
• Molecular Weight: 457.58 g/mol
• Exact Mass: 457.26
• IUPAC Name: 2-[(Z)-1-amino-2-[2-amino-5-(5-piperidin-4-ylpyrimidin-2-yl)spiro[6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-3-yl]ethenyl]phenol
• SMILES: N/C(=C\c1c(N)[nH]c2c1C1(CC1)N(c1ncc(C3CCNCC3)cn1)CC2)c1ccccc1O
• InChI: InChI=1S/C26H31N7O/c27-20(18-3-1-2-4-22(18)34)13-19-23-21(32-24(19)28)7-12-33(26(23)8-9-26)25-30-14-17(15-31-25)16-5-10-29-11-6-16/h1-4,13-16,29,32,34H,5-12,27-28H2/b20-13-
• InChIKey: PJVLSINQKZNMBO-MOSHPQCFSA-N
• XLogP: 3.07
• TPSA: 129.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.58
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-amino-2-[2-amino-5-(5-piperidin-4-ylpyrimidin-2-yl)spiro[6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-3-yl]ethenyl]phenol?

The IUPAC name of 2-[(Z)-1-amino-2-[2-amino-5-(5-piperidin-4-ylpyrimidin-2-yl)spiro[6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-3-yl]ethenyl]phenol (CID 170612936) is 2-[(Z)-1-amino-2-[2-amino-5-(5-piperidin-4-ylpyrimidin-2-yl)spiro[6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-3-yl]ethenyl]phenol.

What is the SMILES notation for 2-[(Z)-1-amino-2-[2-amino-5-(5-piperidin-4-ylpyrimidin-2-yl)spiro[6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-3-yl]ethenyl]phenol?

The canonical SMILES for 2-[(Z)-1-amino-2-[2-amino-5-(5-piperidin-4-ylpyrimidin-2-yl)spiro[6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-3-yl]ethenyl]phenol is N/C(=C\c1c(N)[nH]c2c1C1(CC1)N(c1ncc(C3CCNCC3)cn1)CC2)c1ccccc1O.

What is the InChIKey of 2-[(Z)-1-amino-2-[2-amino-5-(5-piperidin-4-ylpyrimidin-2-yl)spiro[6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-3-yl]ethenyl]phenol?

The InChIKey is PJVLSINQKZNMBO-MOSHPQCFSA-N. The full InChI is InChI=1S/C26H31N7O/c27-20(18-3-1-2-4-22(18)34)13-19-23-21(32-24(19)28)7-12-33(26(23)8-9-26)25-30-14-17(15-31-25)16-5-10-29-11-6-16/h1-4,13-16,29,32,34H,5-12,27-28H2/b20-13-.

What are the key properties of 2-[(Z)-1-amino-2-[2-amino-5-(5-piperidin-4-ylpyrimidin-2-yl)spiro[6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-3-yl]ethenyl]phenol?

2-[(Z)-1-amino-2-[2-amino-5-(5-piperidin-4-ylpyrimidin-2-yl)spiro[6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-3-yl]ethenyl]phenol has a molecular weight of 457.58 g/mol, XLogP of 3.07, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-1-amino-2-[2-amino-5-(5-piperidin-4-ylpyrimidin-2-yl)spiro[6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-3-yl]ethenyl]phenol is sourced from PubChem (CID 170612936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).