N-[5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrimidin-2-yl]-2,3-dihydro-1H-indol-6-amine;hydrochloride

C22H22Cl2N8O — CID 146304893

About N-[5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrimidin-2-yl]-2,3-dihydro-1H-indol-6-amine;hydrochloride

N-[5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrimidin-2-yl]-2,3-dihydro-1H-indol-6-amine;hydrochloride (PubChem CID 146304893) has the molecular formula C22H22Cl2N8O and a molecular weight of 485.38 g/mol. Its IUPAC name is N-[5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrimidin-2-yl]-2,3-dihydro-1H-indol-6-amine;hydrochloride.

Molecular Properties

• Compound Name: N-[5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrimidin-2-yl]-2,3-dihydro-1H-indol-6-amine;hydrochloride
• PubChem CID: 146304893
• Molecular Formula: C22H22Cl2N8O
• Molecular Weight: 485.38 g/mol
• Exact Mass: 484.13
• IUPAC Name: N-[5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrimidin-2-yl]-2,3-dihydro-1H-indol-6-amine;hydrochloride
• SMILES: C[C@@H](Cn1cnnn1)Oc1cc(-c2cnc(Nc3ccc4c(c3)NCC4)nc2)ccc1Cl.Cl
• InChI: InChI=1S/C22H21ClN8O.ClH/c1-14(12-31-13-27-29-30-31)32-21-8-16(3-5-19(21)23)17-10-25-22(26-11-17)28-18-4-2-15-6-7-24-20(15)9-18;/h2-5,8-11,13-14,24H,6-7,12H2,1H3,(H,25,26,28);1H/t14-;/m0./s1
• InChIKey: RXISCGXOHPFCSI-UQKRIMTDSA-N
• XLogP: 4.38
• TPSA: 102.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.38
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrimidin-2-yl]-2,3-dihydro-1H-indol-6-amine;hydrochloride?

The IUPAC name of N-[5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrimidin-2-yl]-2,3-dihydro-1H-indol-6-amine;hydrochloride (CID 146304893) is N-[5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrimidin-2-yl]-2,3-dihydro-1H-indol-6-amine;hydrochloride.

What is the SMILES notation for N-[5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrimidin-2-yl]-2,3-dihydro-1H-indol-6-amine;hydrochloride?

The canonical SMILES for N-[5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrimidin-2-yl]-2,3-dihydro-1H-indol-6-amine;hydrochloride is C[C@@H](Cn1cnnn1)Oc1cc(-c2cnc(Nc3ccc4c(c3)NCC4)nc2)ccc1Cl.Cl.

What is the InChIKey of N-[5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrimidin-2-yl]-2,3-dihydro-1H-indol-6-amine;hydrochloride?

The InChIKey is RXISCGXOHPFCSI-UQKRIMTDSA-N. The full InChI is InChI=1S/C22H21ClN8O.ClH/c1-14(12-31-13-27-29-30-31)32-21-8-16(3-5-19(21)23)17-10-25-22(26-11-17)28-18-4-2-15-6-7-24-20(15)9-18;/h2-5,8-11,13-14,24H,6-7,12H2,1H3,(H,25,26,28);1H/t14-;/m0./s1.

What are the key properties of N-[5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrimidin-2-yl]-2,3-dihydro-1H-indol-6-amine;hydrochloride?

N-[5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrimidin-2-yl]-2,3-dihydro-1H-indol-6-amine;hydrochloride has a molecular weight of 485.38 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrimidin-2-yl]-2,3-dihydro-1H-indol-6-amine;hydrochloride is sourced from PubChem (CID 146304893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).