7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decane

C14H19N5 — CID 122559840

IUPAC7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
SMILESc1nc(N2CCCC3(CCNC3)C2)c2cc[nH]c2n1
InChIInChI=1S/C14H19N5/c1-3-14(4-6-15-8-14)9-19(7-1)13-11-2-5-16-12(11)17-10-18-13/h2,5,10,15H,1,3-4,6-9H2,(H,16,17,18)
InChIKeyOPUWGMHWVMNYEV-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.54
Rot. Bonds1

About 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decane

7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decane (PubChem CID 122559840) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
PubChem CID122559840
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
SMILESc1nc(N2CCCC3(CCNC3)C2)c2cc[nH]c2n1
InChIInChI=1S/C14H19N5/c1-3-14(4-6-15-8-14)9-19(7-1)13-11-2-5-16-12(11)17-10-18-13/h2,5,10,15H,1,3-4,6-9H2,(H,16,17,18)
InChIKeyOPUWGMHWVMNYEV-UHFFFAOYSA-N
XLogP1.54
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,7-diazaspiro[4.4]nonan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine;dihydrochloride
CID 141448659
1-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane
CID 90265129
4-(3-ethyl-3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 139004861
(5S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[4.5]decane
CID 129267667
7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 155953699
4-(2,7-diazaspiro[4.5]decan-7-yl)-6-methylpyrido[3,2-d]pyrimidine;dihydrochloride
CID 154919890
4-(2,5-diazaspiro[3.4]octan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 141448679
(6S)-2-(2-pyridin-2-ylethyl)-8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97119895
4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4-thiazepane 1,1-dioxide
CID 127338304
4-(4,7-diazaspiro[2.6]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 66653687
2-(5,6,7,8-tetrahydroquinazolin-4-yl)-2,8-diazaspiro[5.5]undecane
CID 102850496
(5S)-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95726431

Frequently Asked Questions

What is the IUPAC name of 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decane?
The IUPAC name of 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decane (CID 122559840) is 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decane is c1nc(N2CCCC3(CCNC3)C2)c2cc[nH]c2n1.
What is the InChIKey of 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decane?
The InChIKey is OPUWGMHWVMNYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-14(4-6-15-8-14)9-19(7-1)13-11-2-5-16-12(11)17-10-18-13/h2,5,10,15H,1,3-4,6-9H2,(H,16,17,18).
What are the key properties of 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decane?
7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decane has a molecular weight of 257.34 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 122559840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).