(1-methylpyrrol-2-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone

C18H23N5O — CID 3234171

IUPAC(1-methylpyrrol-2-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCn1cccc1C(=O)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C18H23N5O/c1-21-10-2-5-15(21)16(24)22-11-3-6-18(13-22)7-12-23(14-18)17-19-8-4-9-20-17/h2,4-5,8-10H,3,6-7,11-14H2,1H3/t18-/m1/s1
InChIKeyMIQLCZCQZYEJQT-GOSISDBHSA-N
MW325.42 g/mol
LogP1.95
Rot. Bonds2

About (1-methylpyrrol-2-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone

(1-methylpyrrol-2-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3234171) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3234171
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(1-methylpyrrol-2-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCn1cccc1C(=O)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C18H23N5O/c1-21-10-2-5-15(21)16(24)22-11-3-6-18(13-22)7-12-23(14-18)17-19-8-4-9-20-17/h2,4-5,8-10H,3,6-7,11-14H2,1H3/t18-/m1/s1
InChIKeyMIQLCZCQZYEJQT-GOSISDBHSA-N
XLogP1.95
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3234171) is (1-methylpyrrol-2-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone is Cn1cccc1C(=O)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is MIQLCZCQZYEJQT-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N5O/c1-21-10-2-5-15(21)16(24)22-11-3-6-18(13-22)7-12-23(14-18)17-19-8-4-9-20-17/h2,4-5,8-10H,3,6-7,11-14H2,1H3/t18-/m1/s1.
What are the key properties of (1-methylpyrrol-2-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
(1-methylpyrrol-2-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 325.42 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3234171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).